⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30078861 | 0.77 | — | — | |
| SCHEMBL676002 | 0.77 | — | — | |
| SCHEMBL170306 | 0.74 | MAPT (0.42) | — | |
| SCHEMBL28018282 | 0.72 | MAPT (0.34) | — | |
| SCHEMBL30954867 | 0.72 | — | — | |
| SCHEMBL3971201 | 0.71 | ALDH1A1 (0.40) | — | |
| SCHEMBL2921978 | 0.71 | KDM4C (0.41) | — | |
| SCHEMBL28913608 | 0.71 | LOX (0.49) | — | |
| SCHEMBL17413774 | 0.71 | LOXL2 (0.57) | — | |
| SCHEMBL5784920 | 0.70 | ALDH1A1 (0.39) | — |
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 |