⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4273865 | 0.77 | KDM4E (0.34) | — | |
| SCHEMBL10429473 | 0.75 | GPR84 (0.39) | — | |
| SCHEMBL2118423 | 0.75 | — | — | |
| SCHEMBL10429469 | 0.71 | GPR84 (0.44) | — | |
| SCHEMBL3110988 | 0.70 | ACHE (0.33) | — | |
| SCHEMBL7940988 | 0.70 | GPR84 (0.51) | — | |
| SCHEMBL2117891 | 0.69 | — | — | |
| SCHEMBL2117448 | 0.69 | — | — | |
| SCHEMBL16474216 | 0.69 | MAPT (0.50) | — | |
| SCHEMBL10004688 | 0.69 | GPR84 (0.34) | — |
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-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 |