⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8865483 | 0.92 | CYP4F2 (0.31) | — | |
| SCHEMBL9843048 | 0.91 | POLB (0.37) | — | |
| SCHEMBL8865451 | 0.89 | CYP4F2 (0.34) | — | |
| SCHEMBL6665055 | 0.88 | RXRA (0.33) | — | |
| SCHEMBL8865421 | 0.86 | CYP4F2 (0.32) | — | |
| SCHEMBL8865642 | 0.85 | EPHX2 (0.30) | — | |
| SCHEMBL8875428 | 0.85 | AKR1B1 (0.32) | — | |
| SCHEMBL8865396 | 0.85 | CYP4F2 (0.34) | — | |
| SCHEMBL8865327 | 0.84 | ALDH1A1 (0.31) | — | |
| SCHEMBL8865391 | 0.84 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5677323-A | SKIN DISORDERS, PSORIASIS | ALLERGAN (US) | 1997-10-14 | — | — | US | disclosed |
| US-5616597-A | ANTIACNE, ANTIPSORIASIS COMPOUNDS | ALLERGAN (US) | 1997-04-01 | — | — | US | disclosed |
| US-5599819-A | SKIN DISORDERS | ALLERGAN | 1997-02-04 | — | — | US | disclosed |
| US-5534516-A | Acetylenes disubstituted with a heteroaromatic group and a 2-substituted chromanyl, thiochromanyl or 1, 2, 3, 4-tetrahydroquinolinyl group having retinoid-like activity | ALLERGAN | 1996-07-09 | — | — | US | disclosed |
| EP-0419130-B1 | Acetylenes disubstituted with a heteroaromatic group and A 2-substituted chromanyl, thiochromanyl or 1,2,3,4- tetrahydroquinolinyl group having retinoid-like activity | ALLERGAN INC (US) | 1995-11-15 | — | — | EP | disclosed |
| US-5407937-A | Skin disorders, skin cancer | ALLERGAN, INC. (US) | 1995-04-18 | — | — | US | disclosed |
| US-5183827-A | Skin disorders | ALLERGAN, INC. (US) | 1993-02-02 | — | — | US | disclosed |
| US-5045551-A | Acetylenes disubstituted with a heteroaromatic group and a 2-substituted chromanyl, thiochromanyl or 1,2,3,4-tetrahydroquinolinyl group having retinoid-like activity | ALLERGAN, INC. (US) | 1991-09-03 | — | — | US | disclosed |