⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5566816 | 0.89 | CHRM3 (0.34) | — | |
| SCHEMBL82296 | 0.63 | JAK3 (0.33) | — | |
| SCHEMBL82635 | 0.58 | NPC1 (0.39) | — | |
| SCHEMBL8123675 | 0.58 | CHRNB2 (0.39) | — | |
| SCHEMBL6364198 | 0.58 | CHRM3 (0.35) | — | |
| SCHEMBL8601975 | 0.57 | CHRNB2 (0.51) | — | |
| SCHEMBL83603 | 0.57 | ACACB (0.37) | — | |
| SCHEMBL395529 | 0.57 | MTNR1A (0.33) | — | |
| SCHEMBL5410316 | 0.56 | MTNR1A (0.37) | — | |
| SCHEMBL13683071 | 0.55 | MKNK1 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1809610-A1 | PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS | Sumitomo Chemical Company, Limited (JP) | 2007-07-25 | — | — | EP | disclosed |
| WO-2006051891-A1 | PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2006-05-18 | — | — | WO | disclosed |