⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3877482 | 1.00 | — | — | |
| SCHEMBL91629 | 1.00 | — | — | |
| SCHEMBL23572448 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL84170 | 0.97 | CYP2C9 (0.46) | — | |
| Hydrochloric Acid SCHEMBL82288 | 0.97 | CYP2C9 (0.46) | — | |
| Hydrochloric Acid SCHEMBL82287 | 0.97 | CYP2C9 (0.46) | — | |
| Hydrochloric Acid SCHEMBL84169 | 0.97 | CYP2C9 (0.46) | — | |
| Hydrochloric Acid SCHEMBL82289 | 0.97 | CYP2C9 (0.46) | — | |
| SCHEMBL21498226 | 0.94 | CYP2C9 (0.41) | — | |
| SCHEMBL19749362 | 0.92 | CYP2C9 (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-8299245-B2 | Method for producing pyrimidine compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-10-30 | — | — | US | disclosed |
| US-20090111984-A1 | Novel Method For Producing Pyrimidine Compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-04-30 | — | — | US | disclosed |
| EP-2011795-A1 | NOVEL PROCESS FOR PRODUCTION OF PYRIMIDINE COMPOUND | Sumitomo Chemical Company, Limited (JP) | 2009-01-07 | — | — | EP | disclosed |