⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1946340 | 0.69 | — | — | |
| SCHEMBL331693 | 0.63 | — | — | |
| SCHEMBL2445527 | 0.62 | — | — | |
| SCHEMBL6245118 | 0.57 | — | — | |
| SCHEMBL6854942 | 0.57 | — | — | |
| SCHEMBL2357219 | 0.57 | — | — | |
| SCHEMBL1659029 | 0.57 | — | — | |
| SCHEMBL10757912 | 0.57 | — | — | |
| SCHEMBL9811321 | 0.48 | — | — | |
| SCHEMBL4311227 | 0.35 | MEN1 (0.33) | — |
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-2005019207-A1 | FUNGICIDAL PYRIMIDINE DERIVATIVES | NIPPON SODA CO. LTD. (JP) | 2005-03-03 | — | — | WO | disclosed |