⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6511670 | 0.76 | — | — | |
| SCHEMBL6508995 | 0.62 | — | — | |
| SCHEMBL2870878 | 0.60 | HIF1A (0.31) | — | |
| SCHEMBL6511771 | 0.59 | CYP3A4 (0.30) | — | |
| SCHEMBL6275723 | 0.57 | TSHR (0.53) | — | |
| SCHEMBL7610066 | 0.57 | MAOA (0.41) | — | |
| SCHEMBL8029794 | 0.56 | HIF1A (0.31) | — | |
| SCHEMBL15717027 | 0.54 | PDK2 (0.35) | — | |
| SCHEMBL7601929 | 0.53 | PDK2 (0.37) | — | |
| SCHEMBL8026331 | 0.53 | HIF1A (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 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 |