⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL854883 | 0.80 | — | — | |
| SCHEMBL2232292 | 0.75 | — | — | |
| SCHEMBL31351992 | 0.74 | — | — | |
| SCHEMBL1661085 | 0.74 | — | — | |
| SCHEMBL31462905 | 0.74 | — | — | |
| SCHEMBL19743731 | 0.74 | — | — | |
| SCHEMBL6719149 | 0.74 | — | — | |
| SCHEMBL6718290 | 0.69 | — | — | |
| SCHEMBL19024132 | 0.67 | — | — | |
| SCHEMBL179573 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040092402-A1 | Pyrimidine derivatives and herbicides containing the same | SUMITOMO CHEMICAL TAKEDA AGRO COMPANY, LIMITED (JP) | 2004-05-13 | — | — | US | disclosed |
| EP-1333029-A1 | PYRIMIDINE DERIVATIVES AND HERBICIDES CONTAINING THE SAME | Sumitomo Chemical Takeda Agro Company, Limited (JP) | 2003-08-06 | — | — | EP | disclosed |