⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7654490 | 0.91 | — | — | |
| SCHEMBL6668134 | 0.88 | NPC1 (0.30) | — | |
| SCHEMBL7653092 | 0.88 | KDM4E (0.31) | — | |
| SCHEMBL9302057 | 0.88 | NPC1 (0.33) | — | |
| SCHEMBL6668281 | 0.88 | CYP3A4 (0.33) | — | |
| SCHEMBL6664873 | 0.87 | CYP3A4 (0.37) | — | |
| SCHEMBL9303658 | 0.86 | — | — | |
| SCHEMBL6665909 | 0.85 | RXRA (0.35) | — | |
| SCHEMBL6665869 | 0.83 | CYP4F2 (0.30) | — | |
| SCHEMBL6667812 | 0.83 | CYP4F2 (0.30) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0785782-B1 | USE OF DISUBSTITUTED ACETYLENES BEARING HETEROAROMATIC AND HETEROBICYCLIC GROUPS HAVING RETINOID-LIKE ACTIVITY | ALLERGAN INC (US) | 2004-09-08 | — | — | EP | disclosed |
| EP-0785782-A1 | DISUBSTITUTED ACETYLENES BEARING HETEROAROMATIC AND HETEROBICYCLIC GROUPS HAVING RETINOID-LIKE ACTIVITY | Allergan (US) | 1997-07-30 | — | — | EP | disclosed |
| US-5602130-A | ORNITHINE DECARBOXYLASE ENZYME INHIBITOR TREATING SKIN DISORDER, INHIBITING CELL HYPERPROLIFERATION | ALLERGAN | 1997-02-11 | — | — | US | disclosed |
| WO-1996011686-A1 | DISUBSTITUTED ACETYLENES BEARING HETEROAROMATIC AND HETEROBICYCLIC GROUPS HAVING RETINOID-LIKE ACTIVITY | ALLERGAN (US) | 1996-04-25 | — | — | WO | disclosed |
| US-5380877-A | Psoriasis treatment; retinoic acid-like activity | ALLERGAN, INC. (US) | 1995-01-10 | — | — | US | disclosed |
| US-5354752-A | A dimethylthiochroman or dimethylchroman-6-yl-ethynyl-pyridazin- or pyrimidin- or pyrazin-for treating skin disorders psoriasis | ALLERGAN, INC. (US) | 1994-10-11 | — | — | US | disclosed |
| US-5348972-A | In treatment of skin disorders such as acne and psoriasis | ALLERGAN, INC. (US) | 1994-09-20 | — | — | US | disclosed |
| US-5234926-A | Skin disorders | ALLERGAN, INC. (US) | 1993-08-10 | — | — | US | disclosed |
| EP-0284288-B1 | DISUBSTITUTED ACETYLENES BEARING HETEROAROMATIC AND HETEROBICYCLIC GROUPS HAVING RETINOID LIKE ACTIVITY | ALLERGAN, INC (US) | 1992-05-27 | — | — | EP | disclosed |
| US-5089509-A | Disubstituted acetylenes bearing heteroaromatic and heterobicyclic groups having retinoid like activity | ALLERGAN, INC. (US) | 1992-02-18 | — | — | US | disclosed |
| EP-0284288-A1 | Disubstituted acetylenes bearing heteroaromatic and heterobicyclic groups having retinoid like activity | ALLERGAN, INC (US) | 1988-09-28 | — | — | EP | disclosed |