⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7498871 | 0.95 | — | — | |
| SCHEMBL7502936 | 0.93 | — | — | |
| SCHEMBL7502557 | 0.91 | — | — | |
| SCHEMBL7502973 | 0.90 | — | — | |
| SCHEMBL7498663 | 0.90 | — | — | |
| SCHEMBL7504445 | 0.88 | — | — | |
| SCHEMBL7496831 | 0.86 | — | — | |
| SCHEMBL7497639 | 0.85 | — | — | |
| SCHEMBL7499636 | 0.85 | — | — | |
| SCHEMBL7492928 | 0.85 | CRHR1 (0.45) | — |
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-0927171-B1 | PYRAZINONES AND TRIAZINONES AND THEIR DERIVATIVES THEREOF | DU PONT PHARM CO (US) | 2002-02-20 | — | — | EP | claimed |