⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28786 | 0.96 | — | — | |
| SCHEMBL28258727 | 0.92 | — | — | |
| SCHEMBL28237596 | 0.82 | — | — | |
| SCHEMBL27835302 | 0.82 | — | — | |
| Ethaneperoxoic Acid SCHEMBL377465 | 0.70 | — | — | |
| SCHEMBL7532829 | 0.70 | — | — | |
| SCHEMBL431680 | 0.70 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL1774823 | 0.70 | — | — | |
| SCHEMBL5620533 | 0.67 | — | — | |
| SCHEMBL11588854 | 0.67 | — | — |
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 |