⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17076806 | 0.68 | HSP90AA1 (0.35) | — | |
| SCHEMBL245183 | 0.67 | KDM4E (0.39) | — | |
| SCHEMBL18394388 | 0.67 | CYP17A1 (0.35) | — | |
| SCHEMBL16566333 | 0.64 | HSP90AA1 (0.40) | — | |
| SCHEMBL26606409 | 0.64 | CYP1A2 (0.40) | — | |
| SCHEMBL18298616 | 0.63 | RPS6KA5 (0.38) | — | |
| SCHEMBL17076786 | 0.63 | RXRA (0.43) | — | |
| SCHEMBL16566403 | 0.63 | KDM4E (0.35) | — | |
| SCHEMBL16566304 | 0.63 | JAK2 (0.39) | — | |
| SCHEMBL2159890 | 0.63 | ALKBH2 (0.57) | — |
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-112047932-B | Pyrazole spleen tyrosine kinase inhibitor and preparation method and application thereof | 中国药科大学 | 2022-11-08 | — | — | CN | disclosed |