⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9578188 | 0.86 | CYP1A2 (0.31) | — | |
| SCHEMBL1742051 | 0.77 | — | — | |
| SCHEMBL8622899 | 0.75 | — | — | |
| SCHEMBL7597535 | 0.74 | CYP1A2 (0.35) | — | |
| SCHEMBL29672413 | 0.72 | CYP1A2 (0.50) | — | |
| SCHEMBL9241076 | 0.72 | CYP1A2 (0.50) | — | |
| SCHEMBL464628 | 0.72 | — | — | |
| SCHEMBL12722834 | 0.72 | — | — | |
| SCHEMBL2738310 | 0.72 | — | — | |
| SCHEMBL12723094 | 0.69 | — | — |
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-105980386-B | Pyrazolo compounds and uses thereof | 基因泰克公司 | 2021-08-13 | — | — | CN | disclosed |