⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1003363 | 0.76 | CA1 (0.46) | — | |
| SCHEMBL8340714 | 0.73 | — | — | |
| SCHEMBL2129023 | 0.73 | — | — | |
| Sulfamide SCHEMBL3827754 | 0.72 | — | — | |
| SCHEMBL6910515 | 0.67 | — | — | |
| SCHEMBL757434 | 0.67 | — | — | |
| SCHEMBL7020568 | 0.67 | — | — | |
| SCHEMBL240693 | 0.67 | — | — | |
| SCHEMBL43258 | 0.67 | — | — | |
| SCHEMBL243116 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116056574-A | Synergistic herbicide combinations, compositions and their use | UPL有限责任公司 | 2023-05-02 | — | — | CN | disclosed |