⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6665623 | 0.91 | CYP26A1 (0.35) | — | |
| SCHEMBL7653191 | 0.88 | PPARG (0.30) | — | |
| SCHEMBL7657077 | 0.87 | AKR1B1 (0.30) | — | |
| SCHEMBL7655942 | 0.86 | PTGDR2 (0.31) | — | |
| SCHEMBL7652223 | 0.85 | ALDH1A1 (0.32) | — | |
| SCHEMBL7653559 | 0.84 | CYSLTR2 (0.30) | — | |
| SCHEMBL8659723 | 0.83 | PTGS2 (0.30) | — | |
| SCHEMBL7660677 | 0.83 | — | — | |
| SCHEMBL7652447 | 0.83 | — | — | |
| SCHEMBL7652233 | 0.83 | AKR1B1 (0.31) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6344463-B1 | SKIN DISORDERS, ACNE | ALLERGAN SALES, INC. | 2002-02-05 | — | — | US | disclosed |
| 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-6090826-A | Disubstituted acetylenes bearing heterobicyclic groups and heteroaromatic or phenyl groups having retinoid like activity | ALLERGAN SALES, INC. (US) | 2000-07-18 | — | — | US | disclosed |
| US-5663347-A | REGULATORS OF CELL PROLIFERATION AND DIFFERENTIATION; TREATMENT OF SKIN DISORDERS; ANTICARCINOGNIC AGENTS | ALLERGAN (US) | 1997-09-02 | — | — | US | disclosed |
| US-5468879-A | Disubstituted acetylenes bearing heterobicyclic groups and heteroaromatic or phenyl groups having retinoid like activity | ALLERGAN, INC. (US) | 1995-11-21 | — | — | US | 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 |