⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6510431 | 0.87 | — | — | |
| SCHEMBL6512809 | 0.85 | — | — | |
| SCHEMBL6515490 | 0.83 | — | — | |
| SCHEMBL6277077 | 0.81 | THRB (0.33) | — | |
| SCHEMBL6282954 | 0.80 | CYP3A4 (0.33) | — | |
| SCHEMBL6279547 | 0.79 | — | — | |
| SCHEMBL6275785 | 0.79 | RARA (0.33) | — | |
| SCHEMBL6275790 | 0.79 | RARA (0.33) | — | |
| SCHEMBL6511296 | 0.78 | — | — | |
| SCHEMBL6282934 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005042509-A1 | 7-`(7-ALKOXY)-CHROM-3-EN-6-YL!-HEPTATRIENOIC ACID AND 7-`(3ALKOXY)-5,6-DIHYDRONAPHTHALEN-2-YL!-HEPTATRIENOIC ACID DERIVATIVES MODULATORS | ALLERGAN, INC. (US) | 2005-05-12 | — | — | WO | disclosed |