⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3616440 | 0.87 | ACACB (0.30) | — | |
| SCHEMBL3626936 | 0.87 | ACACB (0.30) | — | |
| SCHEMBL3618650 | 0.86 | — | — | |
| SCHEMBL3625635 | 0.86 | GPR119 (0.33) | — | |
| SCHEMBL3624312 | 0.84 | ALDH1A1 (0.32) | — | |
| SCHEMBL3626099 | 0.84 | — | — | |
| SCHEMBL3624556 | 0.84 | MAPK1 (0.34) | — | |
| SCHEMBL3625893 | 0.84 | — | — | |
| SCHEMBL3625185 | 0.83 | CYP19A1 (0.31) | — | |
| SCHEMBL3627670 | 0.82 | SLC9A1 (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 |
|---|---|---|---|---|---|---|---|
| WO-2010119878-A1 | PYRIMIDINE COMPOUND AND ITS USE FOR PEST CONTROL | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-10-21 | — | — | WO | disclosed |
| WO-2010119878-A1 | PYRIMIDINE COMPOUND AND ITS USE FOR PEST CONTROL | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-10-21 | — | — | WO | disclosed |