Leap-to-Lead™ Overview
Leap-to-Lead™ Overview
High quality chemical matter
Robust and versatile chemistry
Structural information
Carefully chosen reagent sets
Tools for property based optimization
BioBlocks' proprietary next generation 3D fragment library
Reaction-based access to currently synthesizable compounds
Leap-to-Lead™ Video Overview
Leap-to-Lead™ Video Overview
We have produced a brief video introducing our drug discovery platform:
Leap-to-Lead™ Collaborations
Leap-to-Lead™ Collaborations
We developed this platform to address common problems and assist you in advancing your drug discovery program.
We are seeking partnerships with companies that have complementary capabilities in target screening and requisite biology. These collaborations would have the capacity to create drug candidates drawing on BioBlocks’ proprietary chemical space, the processes of its platform and our partners’ depth of experience in target biology. We are open to various options for collaboration such as:
Jointly developing a lead series
Identifying and accomplishing project milestones
Utilizing Leap-to-Lead™ to develop a pipeline with multiple targets
Application of the platform to a recent drug discovery project has produced lead compounds with substantially better properties.
Comprehensive Fragment Library
Comprehensive Fragment Library
The Comprehensive Fragment Library (CFL) is a set of small, low flexibility, medicinally interesting fragments. This library originates from a starting set of >3 million potentially synthesizable virtual fragments designed from first principles to maximize exploration of target interactions. Extensive 3D clustering analysis allows broad coverage of chemistry space and provides an immediate follow-up strategy from any screening hit.
Diverse collection of rigid, low molecular weight fragments designed from first principles
Designed using our team’s deep medicinal chemistry expertise to meet very strict property criteria
Enables access to ~ 3 million high value fragments with less than 19 heavy atoms
Break out of the 2D world with new chemical matter
Choose from thousands of related virtual alternatives for each fragment hit
Gain a head start on hit to lead and IP
Access novel, 3D structures even from commercial hits
CFL in Action
CFL in Action
Our experience suggests that there is an enormous amount of new chemical matter still available for drug discovery especially when fragment methods are used. Novel fragments are perfectly situated to develop unique, patentable molecules. By controlling fragment properties from the beginning, better quality preclinical leads can be developed with greater chances for clinical success.
Even a well-known commercially available fragment leads to novel 3D analogs through Comprehensive Fragment Library clusters.
CFL Library Properties
CFL Library Properties
Solutions in DMSO arranged arrayed by mutual agreement
Typical sample is 2-4 mg compound dissolved in 0.2 mL DMSO (200mM solution)
Independent expert evaluation shows minimal overlap with other fragment libraries
Syntheverse™
Syntheverse™
The Syntheverse™ is the Leap-to-Lead platform’s very large virtual library that provides useful, property-filtered compound sets. It enables our partners to identify alternative lead series and new hit to lead paths.
A US patent has been issued to BioBlocks for Syntheverse™ technology.
US9946847B2
Providing access to over 500 billion compounds, the Syntheverse™ produces sets of diverse synthesizable products through precoded synthetic schemes and purchasable starting materials. Starting from an initial fragment or any synthetic compound, compound sets with predesignated properties are generated for additional selection by virtual screen or direct synthesis and assay.
When queried with an active molecule, compounds are suggested which are synthetically accessible via one or more existing synthetic routes. Such output provides library design ideas for hit follow-up from screening or lead/scaffold hopping to novel series.
Improve access to currently synthesizable compounds
Practice the art of the possible: discover your lead in the synthetically accessible universe of compounds
Revisit your patent strategy by replacing common building blocks with new sizes and shapes
Leap beyond the ordinary limits of imagination to optimize your lead
Syntheverse™ in Action
Syntheverse™ in Action
Our experience suggests that there are enormous numbers of new chemical compounds available for drug discovery even from known reliable reactions and truly commercially available starting materials. Starting from any individual compound or fragment, a tree of all synthesizable products can be generated. The full set of products is impractically large for enumeration. However, a high value subset can be selected from the Syntheverse using property and structure filters. Virtual screen evaluation and prioritization by synthetic ease generates a compound list for synthesis. For each compound selected, the tree provides the synthetic scheme.
Starting from a novel, proprietary compound or fragment, the Syntheverse generates a novel product tree. The compounds produced represent the accessible IP space available around the novel compound.
~100 million compounds from 64 reaction schemes
Using the Syntheverse™ in a recent project provided steady improvement towards a Lead Series. Critically, for this project we retained valuable lead properties by exploring more options and making only those that fitted design criteria. Despite the fact that the initial scaffold was well-known, a patent application has been filed on a selected compound set from Run 2.