⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14342573 | 0.76 | — | — | |
| SCHEMBL568783 | 0.70 | — | — | |
| SCHEMBL10622080 | 0.69 | — | — | |
| SCHEMBL28655236 | 0.67 | KMT2A (0.46) | — | |
| SCHEMBL1503 | 0.61 | — | — | |
| SCHEMBL15374805 | 0.61 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL2707203 | 0.60 | UHRF1 (0.43) | — | |
| SCHEMBL17085656 | 0.60 | UHRF1 (0.43) | — | |
| SCHEMBL2958768 | 0.60 | UHRF1 (0.43) | — | |
| SCHEMBL29150915 | 0.59 | — | — |
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-108473498-B | Pyrazolo [1,5a ] pyrimidine derivatives as IRAK4 modulators | 豪夫迈·罗氏有限公司 | 2021-11-02 | — | — | CN | disclosed |