⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2702794 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL3572159 | 0.79 | PPARA (0.34) | — | |
| SCHEMBL9115553 | 0.79 | CYP3A4 (0.30) | — | |
| SCHEMBL1353598 | 0.79 | TAAR1 (0.30) | — | |
| SCHEMBL294589 | 0.79 | — | — | |
| SCHEMBL7370321 | 0.78 | KCNH2 (0.32) | — | |
| SCHEMBL8960151 | 0.77 | — | — | |
| SCHEMBL9735391 | 0.75 | MEN1 (0.48) | — | |
| SCHEMBL19025 | 0.75 | SLC6A2 (0.34) | — | |
| SCHEMBL8960235 | 0.74 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5516904-A | SKIN AND IMMUNE DISORDERS; ANTIARTHRITIC AGENTS; WOUND HEALING AGENTS | ALLERGAN, INC. (US) | 1996-05-14 | — | — | US | disclosed |
| EP-0436398-B1 | Acetylenes disubstituted with a heteroaromatic group and a substituted phenyl group having retinoid like activity | ALLERGAN INC (US) | 1996-01-31 | — | — | EP | disclosed |
| US-5414007-A | Skin disorders | ALLERGAN, INC. (US) | 1995-05-09 | — | — | US | disclosed |
| US-5349105-A | Skin disorder | ALLERGAN, INC. (US) | 1994-09-20 | — | — | US | disclosed |
| US-5264456-A | Skin disorders, anticarcinogenic agents, antiarthritic agents, immunology or wound healing agents | ALLERGAN, INC. (US) | 1993-11-23 | — | — | US | disclosed |
| US-5202471-A | Skin disorders | ALLERGAN, INC. (US) | 1993-04-13 | — | — | US | disclosed |
| US-5175185-A | Antiacne agents | ALLERGAN, INC. (US) | 1992-12-29 | — | — | US | disclosed |
| EP-0436398-A1 | Acetylenes disubstituted with a heteroaromatic group and a substituted phenyl group having retinoid like activity | ALLERGAN, INC. (US) | 1991-07-10 | — | — | EP | disclosed |
| US-5013744-A | Skin disorders | ALLERGAN, INC. (US) | 1991-05-07 | — | — | US | disclosed |