⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7715890 | 0.72 | — | — | |
| SCHEMBL6661706 | 0.70 | — | — | |
| SCHEMBL16386432 | 0.70 | — | — | |
| SCHEMBL6661721 | 0.70 | — | — | |
| SCHEMBL24478266 | 0.70 | — | — | |
| SCHEMBL24477584 | 0.70 | — | — | |
| SCHEMBL6661718 | 0.70 | — | — | |
| SCHEMBL14874027 | 0.70 | — | — | |
| SCHEMBL20991969 | 0.70 | — | — | |
| SCHEMBL16383099 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0755912-B1 | Process for the preparation of 2-substituted cyclopentanones | BAYER AG (DE) | 1999-09-08 | — | — | EP | disclosed |
| US-5672763-A | Process for the preparation of 2-substituted cyclopentanones | BAYER AKTIENGESELLSCHAFT (DE) | 1997-09-30 | — | — | US | disclosed |
| EP-0755912-A2 | Process for the preparation of 2-substituted cyclopentanones | BAYER AG (DE) | 1997-01-29 | — | — | EP | disclosed |