⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2548114 | 0.77 | — | — | |
| SCHEMBL25239929 | 0.77 | — | — | |
| SCHEMBL2183304 | 0.71 | — | — | |
| SCHEMBL115473 | 0.69 | — | — | |
| SCHEMBL12537265 | 0.69 | ESR1 (0.33) | — | |
| SCHEMBL14381777 | 0.65 | — | — | |
| SCHEMBL9926032 | 0.65 | — | — | |
| SCHEMBL21737604 | 0.65 | — | — | |
| SCHEMBL144413 | 0.65 | — | — | |
| SCHEMBL12335751 | 0.65 | — | — |
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-0836602-B1 | FUNGICIDAL PYRIMIDINONES | DU PONT (US) | 2002-01-30 | — | — | EP | claimed |
| WO-2016039691-A1 | CATALYSTS FOR MAKING CHIRAL HETEROCYCLIC SULFOXIDES | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2016-03-17 | — | — | WO | disclosed |