⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3969843 | 1.00 | — | — | |
| SCHEMBL10497279 | 0.88 | THRA (0.46) | — | |
| SCHEMBL10497268 | 0.88 | THRA (0.46) | — | |
| SCHEMBL21897755 | 0.85 | — | — | |
| SCHEMBL4457635 | 0.85 | CYP1A2 (0.44) | — | |
| SCHEMBL4457639 | 0.85 | CYP1A2 (0.44) | — | |
| SCHEMBL10498758 | 0.85 | THRA (0.47) | — | |
| SCHEMBL10498781 | 0.85 | THRA (0.47) | — | |
| SCHEMBL10497529 | 0.85 | THRA (0.47) | — | |
| SCHEMBL10497518 | 0.85 | THRA (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7566737-B2 | Combinations of substituted 1,3-diphenylprop-2-en-1-one derivatives with other therapeutically active ingredients | GENFIT (FR) | 2009-07-28 | — | — | US | disclosed |
| US-20070032543-A1 | Combinations of substituted 1,3-diphenylprop-2-EN-1-one derivatives with other therapeutically active ingredients | GENFIT (FR) | 2007-02-08 | — | — | US | disclosed |