⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17934032 | 0.73 | KDM1A (0.30) | — | |
| SCHEMBL6586181 | 0.72 | — | — | |
| SCHEMBL29287803 | 0.71 | HTR2C (0.33) | — | |
| SCHEMBL23085145 | 0.66 | NOX1 (0.44) | — | |
| SCHEMBL798117 | 0.66 | NOX1 (0.44) | — | |
| SCHEMBL30928004 | 0.66 | NOX1 (0.44) | — | |
| SCHEMBL21966551 | 0.65 | BRD4 (0.30) | — | |
| SCHEMBL13039113 | 0.64 | ALDH1A1 (0.41) | — | |
| SCHEMBL8286780 | 0.62 | BCHE (0.41) | — | |
| SCHEMBL23839030 | 0.62 | NOX1 (0.41) | — |
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-119384413-A | Anilino-pyrazole derivatives, compositions and methods thereof | 昂胜医药有限公司 | 2025-01-28 | — | — | CN | disclosed |