⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6913772 | 1.00 | — | — | |
| SCHEMBL3755412 | 1.00 | — | — | |
| SCHEMBL28733920 | 0.83 | — | — | |
| SCHEMBL6054264 | 0.81 | TET2 (0.67) | — | |
| SCHEMBL3261082 | 0.81 | TET2 (0.67) | — | |
| SCHEMBL9979695 | 0.79 | GPR84 (0.61) | — | |
| SCHEMBL14237892 | 0.79 | GPR84 (0.61) | — | |
| SCHEMBL28361959 | 0.77 | — | — | |
| SCHEMBL574040 | 0.75 | — | — | |
| SCHEMBL11651698 | 0.75 | GPR84 (0.71) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7833767-B2 | having enhanced ketoreductase activity and/or thermostability for use in the stereospecific reduction of ketones; non-naturally occurring ketoreductas polypeptide capable of converting ethyl 4-chloroacetoacetate to ethyl (S)-4-chloro-3-hydroxybutyrate in the presence of cofactor NADPH | CODEXIS, INC. (US) | 2010-11-16 | — | — | US | claimed |
| US-5430171-A | T-butyl (R)-(-)-4-cyano-3-hydroxybutyrate and process for preparing the same | TAKASAGO INTERNATIONAL CORPORATION (JP) | 1995-07-04 | — | — | US | disclosed |