⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17028087 | 0.66 | GAA (0.35) | — | |
| SCHEMBL17291831 | 0.65 | — | — | |
| SCHEMBL9663060 | 0.64 | — | — | |
| SCHEMBL3372805 | 0.63 | NOS3 (0.30) | — | |
| SCHEMBL254099 | 0.62 | — | — | |
| SCHEMBL14889399 | 0.62 | — | — | |
| SCHEMBL17291836 | 0.60 | — | — | |
| SCHEMBL1578455 | 0.59 | — | — | |
| SCHEMBL3873198 | 0.58 | — | — | |
| SCHEMBL9575213 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3107898-B1 | 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS | TAKEDA PHARMACEUTICALS CO (JP) | 2021-01-06 | — | — | EP | disclosed |
| EP-3107898-A1 | 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS | Takeda Pharmaceutical Company Limited (JP) | 2016-12-28 | — | — | EP | disclosed |
| US-9493432-B2 | Cyclopentylbenzamide derivatives and their use for the treatment of psychotic and cognitive disorders | TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) | 2016-11-15 | — | — | US | disclosed |
| WO-2015124932-A1 | 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS | TAKEDA CAMBRIDGE LIMITED (GB) | 2015-08-27 | — | — | WO | disclosed |