⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2267702 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL2214173 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL15561475 | 0.67 | — | — | |
| SCHEMBL8284153 | 0.62 | — | — | |
| SCHEMBL759891 | 0.62 | — | — | |
| SCHEMBL9452502 | 0.62 | — | — | |
| SCHEMBL1679995 | 0.62 | — | — | |
| SCHEMBL3453979 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL20504187 | 0.58 | — | — | |
| SCHEMBL15224337 | 0.58 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210221821-A1 | TERT-BUTYL (S)-2-(4-(PHENYL)-6H-THIENO[3, 2-F][1, 2, 4]TRIAZOLO[4, 3-A] [1,4]DIAZEPIN-6-YL) ACETATE DERIVATIVES AND RELATED COMPOUNDS AS BROMODOMAIN BRD4 INHIBITORS FOR TREATING CANCER | GENENTECH, INC. (US) | 2021-07-22 | — | — | US | disclosed |