⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6281373 | 0.92 | — | — | |
| SCHEMBL6283067 | 0.89 | RXRA (0.30) | — | |
| SCHEMBL6279845 | 0.88 | — | — | |
| SCHEMBL6279490 | 0.87 | — | — | |
| SCHEMBL6283256 | 0.85 | RXRA (0.35) | — | |
| SCHEMBL6283262 | 0.85 | RXRA (0.35) | — | |
| SCHEMBL6283114 | 0.83 | TSHR (0.30) | — | |
| SCHEMBL6281477 | 0.83 | RARA (0.35) | — | |
| SCHEMBL6281485 | 0.83 | RARA (0.35) | — | |
| SCHEMBL6284158 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050096380-A1 | 7-[(7-ALKOXY)-CHROM-3-EN-6-YL]-HEPTATRIENOIC ACID AND 7-[(3-ALKOXY)-5,6-DIHYDRONAPHTHALEN-2-YL]-HEPTATRIENOIC ACID DERIVATIVES HAVING SERUM GLUCOSE REDUCING ACTIVITY | ALLERGAN, INC. | 2005-05-05 | — | — | US | disclosed |
| US-6887896-B1 | 7-[(7-Alkoxy)-chrom-3-en-6-yl]-heptatrienoic acid and 7-[(3-alkoxy)-5,6-dihydronaphthalen-2-yl]-heptatrienoic acid derivatives having serum glucose reducing activity | ALLERGAN, INC. (US) | 2005-05-03 | — | — | US | disclosed |