⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20389306 | 0.80 | — | — | |
| SCHEMBL25583786 | 0.76 | — | — | |
| SCHEMBL14380602 | 0.76 | — | — | |
| SCHEMBL14295215 | 0.75 | — | — | |
| SCHEMBL22137317 | 0.75 | — | — | |
| SCHEMBL17425734 | 0.75 | — | — | |
| SCHEMBL12593296 | 0.74 | — | — | |
| SCHEMBL12332466 | 0.73 | — | — | |
| SCHEMBL27705104 | 0.73 | — | — | |
| SCHEMBL18570922 | 0.73 | — | — |
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-2562162-A1 | 5-FLUORO PYRIMIDINE DERIVATIVES AS FUNGICIDES | Dow AgroSciences LLC (US) | 2013-02-27 | — | — | EP | disclosed |