⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6091196 | 0.76 | CYP3A4 (0.32) | — | |
| SCHEMBL7751119 | 0.73 | — | — | |
| SCHEMBL6092944 | 0.68 | CYP3A4 (0.32) | — | |
| SCHEMBL6094193 | 0.67 | CYP3A4 (0.31) | — | |
| SCHEMBL7753389 | 0.67 | — | — | |
| SCHEMBL6042598 | 0.61 | SLC2A1 (0.39) | — | |
| SCHEMBL7751245 | 0.61 | RARG (0.38) | — | |
| SCHEMBL6042878 | 0.61 | KDM4E (0.41) | — | |
| SCHEMBL4678900 | 0.60 | ALOX5AP (0.36) | — | |
| SCHEMBL27176914 | 0.60 | CYP19A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0832057-A1 | DIAROMATIC PROPYNYL OR DIENYL COMPOUNDS | CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) | 1998-04-01 | — | — | EP | disclosed |
| WO-1997033856-A1 | DIAROMATIC PROPYNYL OR DIENYL COMPOUNDS | CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) | 1997-09-18 | — | — | WO | disclosed |