⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27498337 | 0.88 | — | — | |
| SCHEMBL6289041 | 0.76 | MEN1 (0.36) | — | |
| SCHEMBL7486295 | 0.75 | ADCY10 (0.37) | — | |
| SCHEMBL5922945 | 0.75 | — | — | |
| SCHEMBL27459262 | 0.74 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL8165668 | 0.72 | ADCY10 (0.41) | — | |
| SCHEMBL6289042 | 0.72 | SCN9A (0.35) | — | |
| SCHEMBL8426108 | 0.70 | BRD4 (0.33) | — | |
| SCHEMBL27474320 | 0.70 | — | — | |
| SCHEMBL7894519 | 0.68 | NOTUM (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1145626-C | Substituted pyrazole-3-yl benzazoles | �����ɷ� | 2004-04-14 | — | — | CN | disclosed |