⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31352013 | 1.00 | — | — | |
| SCHEMBL28110621 | 0.73 | — | — | |
| SCHEMBL19010428 | 0.70 | CYP1A2 (0.33) | — | |
| SCHEMBL360568 | 0.69 | — | — | |
| SCHEMBL29960044 | 0.69 | — | — | |
| SCHEMBL23094463 | 0.68 | ERN1 (0.33) | — | |
| SCHEMBL9438564 | 0.68 | SLC22A12 (0.37) | — | |
| SCHEMBL23094434 | 0.68 | TP53 (0.32) | — | |
| SCHEMBL7839742 | 0.68 | HSD17B10 (0.32) | — | |
| SCHEMBL8176256 | 0.68 | — | — |
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 8 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 |
| EP-0843666-B1 | 4-SUBSTITUTED 5-POLYCYCLYLPYRIMIDINE HERBICIDES | DOW AGROSCIENCES LLC (US) | 2001-05-16 | — | — | EP | disclosed |
| CN-1188473-A | 4-substituted 5-polycyclylpyrimidine herbicides | DOWELANCO (US) | 1998-07-22 | — | — | CN | disclosed |
| US-5780465-A | 4-substituted 5-polycyclylpyrimidine herbicides | DOW AGROSCIENCES LLC (US) | 1998-07-14 | — | — | US | disclosed |
| EP-0843666-A1 | 4-SUBSTITUTED 5-POLYCYCLYLPYRIMIDINE HERBICIDES | DOWELANCO (US) | 1998-05-27 | — | — | EP | disclosed |
| WO-1997037978-A1 | 4-SUBSTITUTED 5-POLYCYCLYLPYRIMIDINE HERBICIDES | DOWELANCO (US) | 1997-10-16 | — | — | WO | disclosed |