⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25973573 | 1.00 | — | — | |
| SCHEMBL5076423 | 0.74 | — | — | |
| SCHEMBL5027046 | 0.74 | — | — | |
| SCHEMBL12536749 | 0.74 | — | — | |
| SCHEMBL4988233 | 0.74 | — | — | |
| SCHEMBL13961088 | 0.74 | — | — | |
| SCHEMBL15723528 | 0.72 | — | — | |
| SCHEMBL1271440 | 0.72 | — | — | |
| SCHEMBL6543457 | 0.72 | — | — | |
| SCHEMBL7998790 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2879677-B1 | SUBSTITUTED PYRAZOLONE COMPOUNDS AND METHODS OF USE | CALITOR SCIENCES LLC (US) | 2017-06-14 | — | — | EP | disclosed |