⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23845799 | 0.84 | — | — | |
| SCHEMBL23845789 | 0.83 | — | — | |
| SCHEMBL24786140 | 0.82 | — | — | |
| 1,1-Dichloroethene SCHEMBL8598616 | 0.78 | TSHR (0.41) | — | |
| SCHEMBL9311666 | 0.78 | TSHR (0.53) | — | |
| SCHEMBL8237165 | 0.76 | GLA (0.34) | — | |
| SCHEMBL25904841 | 0.75 | TSHR (0.31) | — | |
| SCHEMBL5936821 | 0.75 | — | — | |
| SCHEMBL5936822 | 0.75 | — | — | |
| SCHEMBL5936824 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2562175-A1 | 5-FLUORO PYRIMIDINE DERIVATIVES AS FUNGICIDES | Dow AgroSciences LLC (US) | 2013-02-27 | — | — | EP | disclosed |