⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11362095 | 0.85 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL8901362 | 0.84 | HTT (0.39) | — | |
| SCHEMBL2118423 | 0.79 | — | — | |
| SCHEMBL3110988 | 0.74 | ACHE (0.33) | — | |
| SCHEMBL10004688 | 0.72 | GPR84 (0.34) | — | |
| SCHEMBL2117891 | 0.72 | — | — | |
| SCHEMBL16474216 | 0.72 | MAPT (0.50) | — | |
| SCHEMBL81512 | 0.71 | NPC1 (0.32) | — | |
| SCHEMBL379234 | 0.71 | HTT (0.34) | — | |
| SCHEMBL1937023 | 0.70 | — | — |
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 |