⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15564621 | 0.85 | — | — | |
| Ethylene SCHEMBL15564938 | 0.82 | — | — | |
| SCHEMBL16099047 | 0.81 | — | — | |
| SCHEMBL16094093 | 0.81 | — | — | |
| SCHEMBL25184725 | 0.80 | — | — | |
| SCHEMBL16093734 | 0.79 | — | — | |
| SCHEMBL16093808 | 0.78 | — | — | |
| SCHEMBL8342743 | 0.76 | FDPS (0.32) | — | |
| SCHEMBL630206 | 0.76 | — | — | |
| SCHEMBL7342852 | 0.74 | ATM (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2882718-A1 | PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | F.HOFFMANN-LA ROCHE AG (CH) | 2015-06-17 | — | — | EP | disclosed |
| WO-2014023258-A1 | PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | F.HOFFMANN-LA ROCHE AG (CH) | 2014-02-13 | — | — | WO | disclosed |