⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13335936 | 0.69 | — | — | |
| SCHEMBL10020495 | 0.69 | — | — | |
| SCHEMBL862556 | 0.69 | — | — | |
| SCHEMBL13289484 | 0.67 | — | — | |
| SCHEMBL15281886 | 0.65 | — | — | |
| SCHEMBL28269972 | 0.64 | — | — | |
| SCHEMBL14999446 | 0.64 | — | — | |
| SCHEMBL13305415 | 0.64 | — | — | |
| SCHEMBL18843051 | 0.64 | — | — | |
| SCHEMBL18019396 | 0.60 | — | — |
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-2562163-A1 | 5-FLUORO PYRIMIDINE DERIVATIVES AS FUNGICIDES | Dow AgroSciences LLC (US) | 2013-02-27 | — | — | EP | disclosed |