⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7911326 | 0.75 | — | — | |
| SCHEMBL1576692 | 0.75 | CA1 (0.36) | — | |
| SCHEMBL1577054 | 0.75 | NPSR1 (0.32) | — | |
| SCHEMBL1576847 | 0.67 | CA1 (0.32) | — | |
| SCHEMBL1577258 | 0.66 | CA1 (0.33) | — | |
| SCHEMBL4612758 | 0.64 | RPS6KB2 (0.38) | — | |
| SCHEMBL1576938 | 0.63 | PLK1 (0.31) | — | |
| SCHEMBL7173940 | 0.63 | PTGS2 (0.46) | — | |
| SCHEMBL22393225 | 0.61 | PTGS2 (0.50) | — | |
| SCHEMBL7550351 | 0.60 | CA2 (0.39) | — |
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-2011039276-A1 | OXATHIAZINYL(HET)ARYLSULFONYLUREAS, PROCESSES AND INTERMEDIATES FOR PREPARATION THEREOF AND USE THEREOF AS CROP PROTECTION AGENTS AND CROP GROWTH REGULATORS | BAYER CROPSCIENCE AG (DE) | 2011-04-07 | — | — | WO | disclosed |