⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL220417 | 0.72 | — | — | |
| SCHEMBL50669 | 0.69 | — | — | |
| SCHEMBL4429855 | 0.69 | — | — | |
| SCHEMBL2323258 | 0.69 | — | — | |
| SCHEMBL811746 | 0.69 | — | — | |
| SCHEMBL6667454 | 0.69 | — | — | |
| SCHEMBL1811895 | 0.67 | — | — | |
| SCHEMBL16180043 | 0.67 | — | — | |
| SCHEMBL8394559 | 0.67 | — | — | |
| SCHEMBL22326984 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014171894-A1 | SYNTHESIS OF CYCLIC CARBONATES | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2014-10-23 | — | — | WO | disclosed |
| EP-1483249-A1 | PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES | Sumitomo Chemical Company, Limited (JP) | 2004-12-08 | — | — | EP | disclosed |
| WO-2003076415-A1 | PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2003-09-18 | — | — | WO | disclosed |