Solutions & Services

Hit generation

Hit generation

Whether aiming at FBLD, conventional HTS, Virtual screening or DEL approaches, Edelris offers meaningful, biorelevant and dedicated compound collections originating from its trademark Keymical Space™.

Keymical Fragments™

Edelris has developed a specific niche in the area of fragment collections based upon originality, synthetic tractability, topology (3D-shape) and growing ability, allowing for bio-relevant and efficient chemical space exploration.

Other key design parameters include:

  • Aqueous solubility of final compounds
  • Easy synthetic access in 2-3 robust steps from standard building blocks
  • Potential to grow fragments in different directions of space in case of hits

The fragments in our collections can be cherry-picked for greater flexibility in augmenting existing collections.

 

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Keymical Collections™

The size of biologically relevant chemical space is conservatively estimated to be in the order of 1020 molecules. By comparison, all reported small molecules in public databases represent around 108 molecules, leaving this chemical universe virtually untapped.

Recent publications have proposed several potentially useful strategies for the synthesis of novel molecules aiming at the exploration of chemical space:

  • Design of more sp3-enriched compounds in order to “Escape from Flatland”.
  • Design and synthesis of compounds inspired by Natural Products

Natural by Design™: For over a decade, Edelris has pioneered the design and synthesis of innovative, Natural Product-like small molecules (Keymical Collections™), aiming at the discovery of bio-relevant chemical starting points towards hit and lead discovery.

 

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DNA-encoded libraries

Rejuvenating combinatorial chemistry used in the 90’s, DNA-encoded libraries (DEL) have recently matured to a revolutionary hit-generation approach. The technology has allowed the design, synthesis and screening of compound libraries of previously unthinkable size.

Edelris has designed and offers original, non-exclusive or exclusive bi-and tri-functional building blocks based upon its Keymical Space™. The diversity infused by the introduction of Edelris’ DEL building blocks permeates through the entire combinatorial array, resulting in a highly leveraged set of novel products.