⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5854363 | 0.88 | — | — | |
| SCHEMBL5855073 | 0.86 | — | — | |
| SCHEMBL5854712 | 0.85 | PTPN1 (0.33) | — | |
| SCHEMBL7588543 | 0.84 | PTPN1 (0.31) | — | |
| SCHEMBL7587357 | 0.84 | PTPN1 (0.31) | — | |
| SCHEMBL6790429 | 0.82 | FFAR1 (0.30) | — | |
| SCHEMBL5856488 | 0.81 | AR (0.33) | — | |
| SCHEMBL5855935 | 0.80 | PTPN1 (0.38) | — | |
| SCHEMBL5854829 | 0.79 | PTPN1 (0.31) | — | |
| SCHEMBL5856002 | 0.79 | PPARA (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7074819-B2 | Benzopyran or thiobenzopyran derivatives | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2006-07-11 | — | — | US | disclosed |
| US-20040102479-A1 | Novel benzopyran or thiobenzopyran derivatives | CHUGAI SEIYAKU KABUSHIKI KAISHA | 2004-05-27 | — | — | US | disclosed |
| US-6645951-B1 | Antiestrogens for treating breast cancer | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2003-11-11 | — | — | US | disclosed |