⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7930759 | 1.00 | — | — | |
| SCHEMBL7922714 | 0.73 | SLC6A2 (0.30) | — | |
| SCHEMBL7922712 | 0.73 | SLC6A2 (0.30) | — | |
| SCHEMBL28080566 | 0.69 | CHRM1 (0.37) | — | |
| SCHEMBL6954693 | 0.64 | CHRM1 (0.33) | — | |
| SCHEMBL6955944 | 0.62 | SLC6A2 (0.34) | — | |
| Bromide SCHEMBL28167446 | 0.59 | MAOB (0.32) | — | |
| SCHEMBL11321747 | 0.58 | SLC6A2 (0.33) | — | |
| SCHEMBL22577725 | 0.57 | HDAC4 (0.30) | — | |
| SCHEMBL9585009 | 0.56 | TAAR1 (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0879814-B1 | Triaromatic compounds, compositions containing them and uses thereof | CT INTERNAT DE BR RECH S DERMA (FR) | 2001-11-28 | — | — | EP | disclosed |
| US-6150413-A | TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, BONE AND OPHTHALMOLOGICAL DISORDERS, AS WELL AS MAMMALIAN SKIN AND HAIR CONDITIONS; 4-(4-(BIPHENYL-2-YL)BUT-3-EN-1-YNYL)BENZOIC ACID, FOR EXAMPLE | CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) | 2000-11-21 | — | — | US | disclosed |
| EP-0879814-A1 | Triaromatic compounds, compositions containing them and uses thereof | CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) | 1998-11-25 | — | — | EP | disclosed |