⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7804626 | 0.92 | MAP3K14 (0.30) | — | |
| SCHEMBL9192352 | 0.79 | — | — | |
| SCHEMBL7652694 | 0.72 | — | — | |
| SCHEMBL7223452 | 0.70 | RARA (0.39) | — | |
| SCHEMBL1537970 | 0.60 | NOTUM (0.39) | — | |
| SCHEMBL6664711 | 0.59 | MAP3K14 (0.37) | — | |
| SCHEMBL20030 | 0.58 | ITGB2 (0.48) | — | |
| SCHEMBL27041159 | 0.57 | — | — | |
| SCHEMBL27343450 | 0.57 | ITGB2 (0.46) | — | |
| SCHEMBL20719850 | 0.55 | AR (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0636127-B1 | Disubstituted acetylenes bearing heterobicyclic groups and heteroaromatic or phenyl groups having retinoid like activity | ALLERGAN INC (US) | 2001-04-04 | — | — | EP | disclosed |
| US-5264578-A | Disubstituted acetylenes bearing heterobicyclic groups and heteroaromatic or phenyl groups having retinoid like activity | ALLERGAN, INC. (US) | 1993-11-23 | — | — | US | disclosed |