⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3148910 | 0.84 | HCAR2 (0.53) | — | |
| SCHEMBL12126142 | 0.81 | CYP2C9 (0.37) | — | |
| SCHEMBL23000250 | 0.79 | HCAR2 (0.45) | — | |
| SCHEMBL25249862 | 0.78 | — | — | |
| SCHEMBL16619955 | 0.78 | HCAR2 (0.43) | — | |
| SCHEMBL23277749 | 0.78 | GPR84 (0.35) | — | |
| SCHEMBL16619865 | 0.78 | HCAR2 (0.47) | — | |
| SCHEMBL31284154 | 0.77 | — | — | |
| SCHEMBL9078687 | 0.77 | — | — | |
| SCHEMBL5069229 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017108723-A2 | PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2017-06-29 | — | — | WO | disclosed |