⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6645938 | 1.00 | — | — | |
| SCHEMBL6642798 | 0.83 | NPSR1 (0.30) | — | |
| SCHEMBL4296542 | 0.82 | EP300 (0.31) | — | |
| SCHEMBL4296539 | 0.82 | EP300 (0.31) | — | |
| SCHEMBL18689745 | 0.80 | GLO1 (0.38) | — | |
| SCHEMBL1336752 | 0.80 | — | — | |
| SCHEMBL18689744 | 0.80 | GLO1 (0.38) | — | |
| SCHEMBL3997999 | 0.80 | — | — | |
| SCHEMBL1336751 | 0.80 | — | — | |
| SCHEMBL20278354 | 0.78 | GLO1 (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-1211246-A1 | PYRIMIDINE DERIVATIVES AND HERBICIDES CONTAINING THE SAME | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2002-06-05 | — | — | EP | disclosed |