⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14724811 | 1.00 | — | — | |
| SCHEMBL19608139 | 0.78 | — | — | |
| SCHEMBL13594435 | 0.78 | — | — | |
| SCHEMBL19674766 | 0.78 | — | — | |
| SCHEMBL14646852 | 0.78 | — | — | |
| SCHEMBL12653911 | 0.78 | — | — | |
| SCHEMBL22019179 | 0.76 | — | — | |
| SCHEMBL14646847 | 0.75 | CES2 (0.33) | — | |
| SCHEMBL14646598 | 0.75 | CES2 (0.33) | — | |
| SCHEMBL10084343 | 0.74 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2562164-A1 | 5-FLUORO PYRIMIDINE DERIVATIVES AS FUNGICIDES | Dow AgroSciences LLC (US) | 2013-02-27 | — | — | EP | disclosed |
| EP-2562162-A1 | 5-FLUORO PYRIMIDINE DERIVATIVES AS FUNGICIDES | Dow AgroSciences LLC (US) | 2013-02-27 | — | — | EP | disclosed |
| EP-2562167-A1 | 5-FLUORO PYRIMIDINE DERIVATIVES AS FUNGICIDES | Dow AgroSciences LLC (US) | 2013-02-27 | — | — | EP | disclosed |