⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1188526 | 0.80 | — | — | |
| SCHEMBL14653171 | 0.78 | PDE10A (0.39) | — | |
| SCHEMBL4536844 | 0.77 | — | — | |
| SCHEMBL11013571 | 0.74 | — | — | |
| SCHEMBL10781924 | 0.73 | — | — | |
| SCHEMBL10746402 | 0.71 | — | — | |
| SCHEMBL8176734 | 0.64 | POLB (0.36) | — | |
| SCHEMBL10782414 | 0.64 | — | — | |
| SCHEMBL218726 | 0.63 | ALDH1A1 (0.54) | — | |
| SCHEMBL31293113 | 0.63 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101646657-B | Process for producing trichloropyrimidine compound | SUMITOMO CHEMICAL CO JP | 2012-08-08 | — | — | CN | disclosed |
| US-8158787-B2 | Process for producing trichloropyrimidine compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-04-17 | — | — | US | disclosed |
| US-20100160630-A1 | PROCESS FOR PRODUCING TRICHLOROPYRIMIDINE COMPOUND | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-06-24 | — | — | US | disclosed |
| EP-2128141-A1 | PROCESS FOR PRODUCING TRICHLOROPYRIMIDINE COMPOUND | Sumitomo Chemical Company, Limited (JP) | 2009-12-02 | — | — | EP | disclosed |