⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28195475 | 0.78 | HAVCR2 (0.41) | — | |
| SCHEMBL2741330 | 0.76 | — | — | |
| SCHEMBL7821573 | 0.76 | — | — | |
| SCHEMBL23351102 | 0.76 | — | — | |
| SCHEMBL2951119 | 0.75 | — | — | |
| SCHEMBL194064 | 0.75 | KDM4E (0.41) | — | |
| SCHEMBL7820058 | 0.73 | KDM4E (0.38) | — | |
| SCHEMBL375607 | 0.72 | NOTUM (0.46) | — | |
| SCHEMBL8086276 | 0.72 | PDE3B (0.41) | — | |
| SCHEMBL3284250 | 0.72 | HAVCR2 (0.36) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3886854-A1 | PYRROLE AND PYRAZOLE COMPOUNDS AND METHODS OF USE THEREOF | Nuvation Bio Inc. (US) | 2021-10-06 | — | — | EP | disclosed |
| US-11034669-B2 | Pyrrole and pyrazole compounds and methods of use thereof | NUVATION BIO INC. (BM) | 2021-06-15 | — | — | US | disclosed |
| US-11034669-B2 | Pyrrole and pyrazole compounds and methods of use thereof | NUVATION BIO INC. (BM) | 2021-06-15 | — | — | US | disclosed |
| US-20200239433-A1 | PYRROLE AND PYRAZOLE COMPOUNDS AND METHODS OF USE THEREOF | SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) | 2020-07-30 | — | — | US | disclosed |
| US-20200239433-A1 | PYRROLE AND PYRAZOLE COMPOUNDS AND METHODS OF USE THEREOF | SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) | 2020-07-30 | — | — | US | disclosed |
| WO-2020113094-A1 | PYRROLE AND PYRAZOLE COMPOUNDS AND METHODS OF USE THEREOF | NUVATION BIO INC. (US) | 2020-06-04 | — | — | WO | disclosed |
| US-20050101657-A1 | Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative | TAKEDA CHEMICAL INDUSTRIES LTD. (JP) | 2005-05-12 | — | — | US | disclosed |
| EP-1466902-A1 | ANDROGEN RECEPTOR ANTAGONISTS | Takeda Chemical Industries, Ltd. (JP) | 2004-10-13 | — | — | EP | disclosed |