⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18946007 | 0.62 | — | — | |
| SCHEMBL14591129 | 0.59 | — | — | |
| SCHEMBL13679592 | 0.58 | — | — | |
| SCHEMBL14472777 | 0.57 | — | — | |
| SCHEMBL17920389 | 0.55 | — | — | |
| SCHEMBL13474832 | 0.55 | — | — | |
| SCHEMBL13435560 | 0.52 | — | — | |
| SCHEMBL12320547 | 0.52 | — | — | |
| SCHEMBL15188595 | 0.51 | — | — | |
| SCHEMBL17733762 | 0.51 | — | — |
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-2562161-A1 | 5-FLUORO PYRIMIDINE DERIVATIVES AS FUNGICIDES | Dow AgroSciences LLC (US) | 2013-02-27 | — | — | EP | disclosed |