⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9309496 | 0.90 | PPARG (0.44) | — | |
| SCHEMBL9308643 | 0.89 | — | — | |
| SCHEMBL9310593 | 0.85 | CYP19A1 (0.36) | — | |
| SCHEMBL9308854 | 0.85 | ACHE (0.42) | — | |
| SCHEMBL9308991 | 0.85 | — | — | |
| SCHEMBL9309856 | 0.84 | — | — | |
| SCHEMBL9310075 | 0.83 | PPARG (0.45) | — | |
| SCHEMBL9310390 | 0.83 | PPARG (0.45) | — | |
| SCHEMBL9308027 | 0.83 | PPARG (0.45) | — | |
| SCHEMBL9308893 | 0.82 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5358950-A | Useful in treatment of cardiovascular diseases | LABORATOIRES UPSA (FR) | 1994-10-25 | — | — | US | disclosed |