⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27514079 | 0.76 | — | — | |
| SCHEMBL20157497 | 0.76 | — | — | |
| SCHEMBL14724838 | 0.73 | — | — | |
| SCHEMBL15428338 | 0.73 | — | — | |
| SCHEMBL4252954 | 0.72 | — | — | |
| SCHEMBL22631341 | 0.71 | — | — | |
| SCHEMBL1556408 | 0.69 | — | — | |
| SCHEMBL21725737 | 0.67 | — | — | |
| SCHEMBL19966450 | 0.67 | — | — | |
| SCHEMBL14724698 | 0.67 | — | — |
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-2562167-A1 | 5-FLUORO PYRIMIDINE DERIVATIVES AS FUNGICIDES | Dow AgroSciences LLC (US) | 2013-02-27 | — | — | EP | disclosed |