⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL898744 | 1.00 | — | — | |
| SCHEMBL2579684 | 1.00 | — | — | |
| SCHEMBL2579686 | 1.00 | — | — | |
| SCHEMBL14261873 | 1.00 | — | — | |
| SCHEMBL31645312 | 1.00 | — | — | |
| SCHEMBL7946480 | 0.95 | TSHR (0.45) | — | |
| SCHEMBL6776722 | 0.92 | TSHR (0.43) | — | |
| SCHEMBL13895032 | 0.83 | — | — | |
| SCHEMBL760227 | 0.83 | — | — | |
| SCHEMBL6779008 | 0.83 | TSHR (0.50) | — |
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 |