⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13066270 | 0.92 | — | — | |
| SCHEMBL13066928 | 0.74 | HDAC4 (0.32) | — | |
| SCHEMBL603341 | 0.69 | GAA (0.33) | — | |
| SCHEMBL602588 | 0.67 | — | — | |
| SCHEMBL2338198 | 0.66 | HCRTR1 (0.32) | — | |
| SCHEMBL13066310 | 0.65 | DPP4 (0.30) | — | |
| SCHEMBL604084 | 0.64 | FABP4 (0.33) | — | |
| SCHEMBL601874 | 0.63 | KHK (0.36) | — | |
| SCHEMBL2332580 | 0.61 | HPGD (0.40) | — | |
| SCHEMBL601732 | 0.61 | HDAC4 (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010134478-A1 | PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-11-25 | — | — | WO | disclosed |