⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6091495 | 0.90 | ALDH1A1 (0.32) | — | |
| SCHEMBL21630827 | 0.82 | ALDH1A1 (0.35) | — | |
| SCHEMBL6092949 | 0.82 | ALDH1A1 (0.35) | — | |
| SCHEMBL6094021 | 0.81 | CA1 (0.36) | — | |
| SCHEMBL9298473 | 0.78 | TRPA1 (0.37) | — | |
| SCHEMBL7825330 | 0.78 | TRPA1 (0.37) | — | |
| SCHEMBL8965119 | 0.78 | TRPA1 (0.37) | — | |
| SCHEMBL9297980 | 0.75 | TDP1 (0.31) | — | |
| SCHEMBL6491522 | 0.72 | CYP19A1 (0.41) | — | |
| SCHEMBL9297323 | 0.71 | ALDH1A1 (0.43) | — |
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-20060063828-A1 | 1,2-Bis-(substituted-phenyl)-2-propen-1-ones and pharmaceutical compositions thereof | ATHEROGENICS, INC. | 2006-03-23 | — | — | US | disclosed |
| WO-2006004903-A2 | 1,2-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND PHARMACEUTICAL COMPOSITIONS THEREOF | ATHEROGENICS, INC. (US) | 2006-01-12 | — | — | WO | disclosed |