⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6333420 | 0.82 | PDE10A (0.35) | — | |
| SCHEMBL10286225 | 0.76 | — | — | |
| SCHEMBL10286224 | 0.76 | — | — | |
| SCHEMBL6335653 | 0.76 | CCNA2 (0.39) | — | |
| SCHEMBL719675 | 0.75 | NPSR1 (0.37) | — | |
| SCHEMBL5321153 | 0.73 | CCNA2 (0.39) | — | |
| SCHEMBL5322503 | 0.71 | MTNR1A (0.31) | — | |
| SCHEMBL6345237 | 0.70 | LRRK2 (0.30) | — | |
| SCHEMBL6344435 | 0.69 | EDNRA (0.31) | — | |
| SCHEMBL5318252 | 0.69 | CNR2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120053053-A1 | PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES | SYNGENTA CROP PROTECTION, LLC (US) | 2012-03-01 | — | — | US | disclosed |