⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7812879 | 0.87 | PLA2G10 (0.33) | — | |
| SCHEMBL6938180 | 0.85 | PPARG (0.32) | — | |
| SCHEMBL7813287 | 0.84 | — | — | |
| SCHEMBL6938280 | 0.84 | PPARG (0.32) | — | |
| SCHEMBL5856128 | 0.79 | ESR1 (0.34) | — | |
| SCHEMBL6932709 | 0.77 | FFAR1 (0.30) | — | |
| SCHEMBL6932706 | 0.77 | FFAR1 (0.30) | — | |
| SCHEMBL5856253 | 0.77 | L3MBTL1 (0.32) | — | |
| SCHEMBL5854585 | 0.76 | — | — | |
| SCHEMBL5856725 | 0.76 | L3MBTL1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1087959-A1 | NOVEL BENZOPYRAN OR THIOBENZOPYRAN DERIVATIVES | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2001-04-04 | — | — | EP | disclosed |
| WO-1999065893-A1 | NOVEL BENZOPYRAN OR THIOBENZOPYRAN DERIVATIVES | C & C RESEARCH LABORATORIES (KR) | 1999-12-23 | — | — | WO | disclosed |