⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14781550 | 0.86 | — | — | |
| SCHEMBL22201596 | 0.85 | — | — | |
| SCHEMBL19077694 | 0.84 | — | — | |
| SCHEMBL26340786 | 0.79 | POLB (0.30) | — | |
| SCHEMBL18570037 | 0.77 | MAPK1 (0.40) | — | |
| Bromide SCHEMBL9390194 | 0.76 | HPGD (0.41) | — | |
| SCHEMBL14773122 | 0.74 | ALDH1A1 (0.39) | — | |
| SCHEMBL16362455 | 0.74 | — | — | |
| SCHEMBL20859560 | 0.71 | — | — | |
| SCHEMBL13069661 | 0.70 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3135110-B1 | 1,7-DIARYL-1,6-HEPTADIEN-3,5-DION DERIVATIVES, METHODS OF MAKING AND USING THE SAME | TRIOPTOTEC GMBH (DE) | 2019-07-10 | — | — | EP | disclosed |