⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL868982 | 0.70 | KDM1A (0.36) | — | |
| SCHEMBL17634062 | 0.67 | KDM1A (0.33) | — | |
| SCHEMBL2361666 | 0.56 | — | — | |
| SCHEMBL14352126 | 0.55 | — | — | |
| SCHEMBL1199949 | 0.54 | CYP2C19 (0.41) | — | |
| SCHEMBL20561348 | 0.54 | CYP2C19 (0.41) | — | |
| SCHEMBL402652 | 0.51 | — | — | |
| SCHEMBL9550056 | 0.50 | — | — | |
| SCHEMBL9550061 | 0.50 | — | — | |
| SCHEMBL10330777 | 0.45 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118459509-A | Synthesis and catalytic performance exploration of novel diene rhodium, palladium and iridium catalysts | 湖南师范大学 | 2024-08-09 | — | — | CN | disclosed |
| WO-1997032913-A1 | POLYMERIZABLE COMPOSITION | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 1997-09-12 | — | — | WO | disclosed |