⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9564860 | 0.83 | XPO1 (0.34) | — | |
| SCHEMBL8069923 | 0.77 | — | — | |
| Water SCHEMBL8084971 | 0.75 | — | — | |
| SCHEMBL9564907 | 0.74 | HPGD (0.39) | — | |
| SCHEMBL9564847 | 0.69 | NFKB1 (0.36) | — | |
| SCHEMBL15483441 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL4900420 | 0.67 | KDM4E (0.55) | — | |
| SCHEMBL3129046 | 0.66 | XPO1 (0.48) | — | |
| SCHEMBL18241106 | 0.65 | JUN (0.30) | — | |
| SCHEMBL9986864 | 0.64 | NFKB1 (0.36) | — |
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-0569912-A1 | 4-alkyl-substituted pyrimidine-5-carboxanilides, process for their preparation, compositions containing them and their use as fungicides | Hoechst Schering AgrEvo GmbH (DE) | 1993-11-18 | — | — | EP | disclosed |