⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10073280 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL26273251 | 0.82 | — | — | |
| SCHEMBL6644895 | 0.81 | — | — | |
| SCHEMBL6643185 | 0.81 | PDE2A (0.40) | — | |
| SCHEMBL8576655 | 0.80 | PDE2A (0.35) | — | |
| SCHEMBL6641950 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL8580032 | 0.76 | CYP11B1 (0.34) | — | |
| SCHEMBL6646004 | 0.74 | ATF1 (0.31) | — | |
| SCHEMBL8581484 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL8566396 | 0.70 | PDE2A (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1238343-C | Pyrimidine derivatives and herbicides containing the same | KUMIAL CHEMICAL INDUSTRY CO LT (JP) | 2006-01-25 | — | — | CN | disclosed |
| US-6806230-B1 | NITROGEN COMPOUNDS SUCH AS N-METHYL-N-(2-METHYL-1-(4-TRIFLUORO METHYLPYRIMIDIN-5-YL)PROPYL)PHENYLACETAMIDE, USED FOR PREFERENTIAL CONTROL OF WEEDS | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2004-10-19 | — | — | US | disclosed |
| EP-1211246-B1 | PYRIMIDINE DERIVATIVES AND HERBICIDES CONTAINING THE SAME | KUMIAI CHEMICAL INDUSTRY CO (JP) | 2004-02-25 | — | — | EP | disclosed |
| CN-1372552-A | Pyrimidine derivatives and herbicides containing the same | KUMIAL CHEMICAL INDUSTRY CO LT (JP) | 2002-10-02 | — | — | CN | disclosed |
| EP-1211246-A1 | PYRIMIDINE DERIVATIVES AND HERBICIDES CONTAINING THE SAME | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2002-06-05 | — | — | EP | disclosed |