⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4474280 | 0.85 | CYP1A2 (0.62) | — | |
| SCHEMBL11893230 | 0.85 | CYP1A2 (0.62) | — | |
| SCHEMBL13359041 | 0.83 | MAPT (0.66) | — | |
| SCHEMBL29151961 | 0.82 | TTR (0.59) | — | |
| SCHEMBL29151956 | 0.82 | TTR (0.59) | — | |
| SCHEMBL14962561 | 0.82 | MAPT (0.71) | — | |
| SCHEMBL3974902 | 0.81 | CYP1A2 (0.57) | — | |
| SCHEMBL498894 | 0.81 | MAOB (0.65) | — | |
| SCHEMBL3970919 | 0.81 | TNFRSF1A (0.65) | — | |
| SCHEMBL498633 | 0.81 | ESR1 (0.62) | — |
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-1701938-B1 | 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVE COMPOUNDS, PREPARATION METHOD THEREOF AND USES OF SAME | GENFIT (FR) | 2012-07-25 | — | — | EP | claimed |
| US-20080058412-A1 | 1,3-Diphenylprop-2-En-1-One Derivative Compounds, Preparation Method Thereof and Uses of Same | GENFIT (FR) | 2008-03-06 | — | — | US | claimed |