⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6719695 | 0.88 | AR (0.31) | — | |
| SCHEMBL6719135 | 0.86 | — | — | |
| SCHEMBL6718417 | 0.83 | — | — | |
| SCHEMBL6718645 | 0.78 | PGR (0.37) | — | |
| SCHEMBL6715830 | 0.73 | — | — | |
| SCHEMBL6719174 | 0.72 | KHK (0.38) | — | |
| SCHEMBL6719708 | 0.70 | VCAM1 (0.39) | — | |
| SCHEMBL7033033 | 0.70 | KMT2A (0.33) | — | |
| SCHEMBL6974485 | 0.68 | DHODH (0.37) | — | |
| SCHEMBL6715627 | 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 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 |