⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11263294 | 0.67 | — | — | |
| SCHEMBL13863 | 0.67 | — | — | |
| SCHEMBL1094924 | 0.65 | — | — | |
| SCHEMBL11085764 | 0.64 | — | — | |
| SCHEMBL1666672 | 0.62 | — | — | |
| SCHEMBL21566576 | 0.62 | — | — | |
| SCHEMBL3505913 | 0.60 | ALDH1A1 (0.37) | — | |
| SCHEMBL1367997 | 0.60 | PDPK1 (0.31) | — | |
| SCHEMBL2916684 | 0.59 | — | — | |
| SCHEMBL11865099 | 0.58 | ACHE (0.35) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090048273-A1 | PREMATURE OVULATION PREVENTIVE AGENT | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-02-19 | — | — | US | disclosed |
| EP-1917978-A1 | PREMATURE OVULATION PREVENTIVE AGENT | Takeda Pharmaceutical Company Limited (JP) | 2008-05-07 | — | — | EP | disclosed |
| US-20050250793-A1 | Preventives/remedies for hot flash | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-11-10 | — | — | US | disclosed |
| EP-1495768-A1 | PREVENTIVES/REMEDIES FOR HOTFLASH | Takeda Pharmaceutical Company Limited (JP) | 2005-01-12 | — | — | EP | disclosed |