⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL702148 | 0.74 | — | — | |
| SCHEMBL7050287 | 0.71 | — | — | |
| SCHEMBL7054558 | 0.71 | — | — | |
| SCHEMBL20710860 | 0.69 | — | — | |
| SCHEMBL11075239 | 0.69 | — | — | |
| Ether SCHEMBL23510558 | 0.68 | ALDH1A1 (0.41) | — | |
| Ether SCHEMBL7872152 | 0.68 | ALDH1A1 (0.41) | — | |
| Ether SCHEMBL3689766 | 0.68 | ALDH1A1 (0.41) | — | |
| Ether SCHEMBL2196284 | 0.68 | ALDH1A1 (0.41) | — | |
| Ether SCHEMBL209572 | 0.68 | — | — |
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-1304325-A1 | 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-04-23 | — | — | EP | disclosed |