⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5154566 | 0.76 | HTR2C (0.33) | — | |
| SCHEMBL4373865 | 0.75 | — | — | |
| SCHEMBL16109360 | 0.71 | — | — | |
| SCHEMBL7055952 | 0.71 | — | — | |
| SCHEMBL4373863 | 0.71 | — | — | |
| SCHEMBL11133937 | 0.69 | FAAH (0.51) | — | |
| SCHEMBL11389546 | 0.69 | — | — | |
| SCHEMBL18083203 | 0.68 | APOBEC3A (0.36) | — | |
| SCHEMBL6609431 | 0.67 | GRIA1 (0.33) | — | |
| SCHEMBL8277929 | 0.66 | ALDH1A1 (0.38) | — |
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 |