⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9309314 | 0.76 | — | — | |
| SCHEMBL14967693 | 0.71 | PPM1B (0.42) | — | |
| SCHEMBL28893643 | 0.71 | — | — | |
| SCHEMBL6160340 | 0.70 | — | — | |
| SCHEMBL23829767 | 0.69 | — | — | |
| SCHEMBL21097605 | 0.67 | APLNR (0.33) | — | |
| SCHEMBL6459704 | 0.67 | APLNR (0.32) | — | |
| SCHEMBL16964790 | 0.67 | APLNR (0.32) | — | |
| SCHEMBL16963735 | 0.67 | APLNR (0.32) | — | |
| SCHEMBL9299045 | 0.65 | MAPK1 (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-1924608-B1 | FUNCTIONALIZED POLYMERS AND IMPROVED TIRES THEREFROM | BRIDGESTONE CORP (JP) | 2010-01-27 | — | — | EP | claimed |
| EP-0023794-B1 | SOLVENT COMPOSITION, METHOD OF INHIBITING THE DECOMPOSITION OF 1,1,1-TRICHLOROETHANE AND METHOD OF DEGREASING ARTICLES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1983-03-09 | — | — | EP | claimed |