⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6282974 | 0.78 | HNF4A (0.36) | — | |
| SCHEMBL6511670 | 0.76 | — | — | |
| SCHEMBL6533970 | 0.69 | — | — | |
| SCHEMBL6279691 | 0.68 | HNF4A (0.35) | — | |
| SCHEMBL6279697 | 0.68 | HNF4A (0.35) | — | |
| SCHEMBL6511771 | 0.68 | CYP3A4 (0.30) | — | |
| SCHEMBL6275807 | 0.63 | HNF4A (0.42) | — | |
| SCHEMBL6275813 | 0.63 | HNF4A (0.42) | — | |
| SCHEMBL6508995 | 0.62 | — | — | |
| SCHEMBL6275723 | 0.62 | TSHR (0.53) | — |
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 |