⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5449089 | 0.83 | CYP2D6 (0.40) | — | |
| SCHEMBL5455430 | 0.76 | CYP2D6 (0.35) | — | |
| SCHEMBL202929 | 0.70 | CYP2D6 (0.43) | — | |
| SCHEMBL5459313 | 0.68 | P2RX7 (0.38) | — | |
| SCHEMBL5443289 | 0.67 | CYP2D6 (0.35) | — | |
| SCHEMBL32688968 | 0.66 | CYP2D6 (0.42) | — | |
| SCHEMBL7110643 | 0.63 | CYP2D6 (0.45) | — | |
| SCHEMBL565960 | 0.63 | CYP2D6 (0.37) | — | |
| SCHEMBL7719333 | 0.61 | CYP2D6 (0.38) | — | |
| SCHEMBL350877 | 0.61 | CYP2D6 (0.46) | — |
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-1679323-A1 | IONOMER, PROCESS FOR PRODUCTION THEREOF AND MOLDED ARTICLE | JSR Corporation (JP) | 2006-07-12 | — | — | EP | disclosed |