⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13183445 | 1.00 | — | — | |
| SCHEMBL16315458 | 0.72 | — | — | |
| SCHEMBL717556 | 0.72 | — | — | |
| SCHEMBL10048279 | 0.72 | — | — | |
| SCHEMBL791134 | 0.72 | — | — | |
| SCHEMBL23894380 | 0.70 | — | — | |
| SCHEMBL879579 | 0.70 | — | — | |
| SCHEMBL13370650 | 0.70 | — | — | |
| SCHEMBL1658624 | 0.70 | — | — | |
| SCHEMBL6588049 | 0.70 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113861191-B | Crystal forms of CDK4/6 active compound and application thereof | 贝达药业股份有限公司 | 2023-09-19 | — | — | CN | disclosed |
| WO-2020061279-A1 | CDPK1 INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO | Vyera Pharmaceuticals, LLC (US) | 2020-03-26 | — | — | WO | disclosed |
| EP-2299824-B1 | PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH | MERCK SHARP & DOHME (US) | 2013-06-19 | — | — | EP | disclosed |
| US-6686509-B2 | Process for producing α, α-difluorocycloalkane compound | MITSUI CHEMICALS, INC. (JP) | 2004-02-03 | — | — | US | disclosed |
| US-20030078460-A1 | Process for producing alpha, alpha-difluorocycloalkane compound | MITSUI CHEMICALS, INC. (JP) | 2003-04-24 | — | — | US | disclosed |