⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10282883 | 1.00 | — | — | |
| SCHEMBL18725034 | 0.80 | — | — | |
| SCHEMBL8349661 | 0.78 | — | — | |
| SCHEMBL21592070 | 0.78 | — | — | |
| SCHEMBL13474832 | 0.78 | — | — | |
| SCHEMBL13515034 | 0.76 | ITGB1 (0.33) | — | |
| SCHEMBL10080252 | 0.76 | — | — | |
| SCHEMBL14724918 | 0.76 | — | — | |
| SCHEMBL18976779 | 0.76 | — | — | |
| SCHEMBL22386250 | 0.75 | — | — |
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-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 |