⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8727619 | 0.77 | LDHA (0.31) | — | |
| SCHEMBL564141 | 0.67 | — | — | |
| Methane SCHEMBL28233279 | 0.64 | — | — | |
| SCHEMBL10816464 | 0.64 | — | — | |
| SCHEMBL10748890 | 0.64 | — | — | |
| SCHEMBL30881952 | 0.64 | — | — | |
| SCHEMBL10757991 | 0.59 | — | — | |
| Bicarbonate SCHEMBL11228659 | 0.55 | — | — | |
| Bicarbonate SCHEMBL222624 | 0.55 | — | — | |
| SCHEMBL167656 | 0.54 | — | — |
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 |