⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27691375 | 0.78 | — | — | |
| SCHEMBL4698977 | 0.76 | — | — | |
| SCHEMBL4697090 | 0.74 | — | — | |
| SCHEMBL246682 | 0.72 | — | — | |
| SCHEMBL14405677 | 0.72 | — | — | |
| SCHEMBL9277097 | 0.72 | — | — | |
| SCHEMBL2005556 | 0.72 | SOAT1 (0.33) | — | |
| SCHEMBL438344 | 0.71 | — | — | |
| SCHEMBL11018811 | 0.70 | SOAT1 (0.36) | — | |
| SCHEMBL439053 | 0.70 | NAAA (0.43) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107206129-A | Drug Coated Medical Devices | 上海脉科医疗科技有限公司 | 2017-09-26 | — | — | CN | disclosed |
| EP-1987037-A2 | FUSED HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2008-11-05 | — | — | EP | disclosed |
| WO-2007097470-A2 | FUSED NITROGEN- COMPRISING HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-08-30 | — | — | WO | disclosed |