⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6327282 | 0.98 | — | — | |
| SCHEMBL6325426 | 0.77 | THRA (0.33) | — | |
| SCHEMBL6325857 | 0.74 | MEN1 (0.34) | — | |
| SCHEMBL14984169 | 0.73 | CA1 (0.33) | — | |
| SCHEMBL6325157 | 0.73 | CYP1A2 (0.44) | — | |
| SCHEMBL6328019 | 0.72 | ALDH1A1 (0.41) | — | |
| SCHEMBL6331251 | 0.72 | ALDH1A1 (0.41) | — | |
| SCHEMBL6325722 | 0.72 | MEN1 (0.32) | — | |
| SCHEMBL6322813 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL6324121 | 0.71 | CYP1A2 (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050009928-A1 | Cyclopentanone derivative | ZEON CORPORATION (JP) | 2005-01-13 | — | — | US | disclosed |
| EP-1420005-A1 | CYCLOPENTANONE DERIVATIVE | Zeon Corporation (JP) | 2004-05-19 | — | — | EP | disclosed |