Fragments of high MedChem tractability
The largest enumerated database of synthetically feasible molecules
Impurity Reference Standards
Diverse covalent warheads with balanced reactivity
2 000 new building blocks are synthesized monthly. Here is an important update to our MedChem Highlights from December 2019
19 November 2019
Optibrium™, BioSolveIT™ and Enamine™ today announce a three-way collaboration enabling efficient search of Enamine’s REAL Space directly from within Optibrium’s StarDrop™ software. This extension to StarDrop is powered by BioSolveIT’s proprietary Feature Trees (FTrees) technology, to search a gigantic chemical space of over 11 billion readily accessible compounds and identify novel compounds that are similar to a query structure of interest. The resulting chemical structures and data are pre-formatted and ready to evaluate using StarDrop’s comprehensive suite of integrated software for small molecule design, optimisation and data analysis.
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05 November 2019
Cyclica, Inc. announced a collaboration with Enamine Ltd. to explore its huge readily accessible chemical space using Cyclica’s state-of-the-art AI-driven Ligand Design™ platform. The companies aim to empower Cyclica’s patented, evolutionary algorithm with new design options based on the 73,000 Enamine’s in-stock building blocks and 171 thoroughly validated synthesis procedures. The joint effort is expected to enable Cyclica’s Ligand Design™ to identify novel molecules with desired polypharmacological properties out of over 11 billion REAL™ (readily accessible) compounds. At least 80% of these compounds will be synthesized by Enamine within only 3-4 weeks.
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05 September 2019
Meet our delegates at International Symposium on DEL in Zurich to learn on our approaches in selecting DEL-compatible building blocks and on our advances in intriguing designs of novel chemotypes >>>
Ro3 Fragment Library
General set of Ro3 compliant molecules for cherry-picking
Enamine’s design and synthesis capabilities allow the addition of more than 140 000 new organic compounds to its catalogue each year. Fast growth and permanent enhancement of our Building Block Collection with novel, top level synthetic chemistry molecules resulted in the world largest set of high quality fragments.
Enamine Ro3 Fragments comprise a remarkable number of new scaffolds and unique chemotypes within the widest range of molecular frameworks. The library does not include covalent modifiers and toxicophores, all industry affiliated exclusion filters and MedChem refinements have been applied.
[Ro3-F][/Ro3-F] molecules out of 2 633 044 Collection
- Ro3 compliance – 100%, Heavy atoms
MedChem inspection &
Sensible Diversity – 32% mean Tanimoto distance (ECFP4)
The hits discovered from our fragments are expected to yield lead compounds fast and easily. Follow-up investigation can be readily performed with analogues available from stock, REAL database in one stage conversion or derived from new MedChem-driven synthesis. All required intermediates, core building blocks and decorating reagents are available from Enamine stock Collection.
Examples of the molecules in the library