⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22322594 | 0.80 | CA2 (0.37) | — | |
| Bromide SCHEMBL22322603 | 0.78 | CA2 (0.35) | — | |
| SCHEMBL22322559 | 0.78 | — | — | |
| SCHEMBL22336356 | 0.75 | ACHE (0.35) | — | |
| SCHEMBL22322561 | 0.74 | — | — | |
| Bromide SCHEMBL22322596 | 0.74 | ACHE (0.34) | — | |
| SCHEMBL22322608 | 0.60 | USP2 (0.44) | — | |
| SCHEMBL22336302 | 0.58 | ALDH1A1 (0.49) | — | |
| Iodide SCHEMBL22322566 | 0.57 | ALDH1A1 (0.47) | — | |
| SCHEMBL20753754 | 0.56 | CYP2A6 (0.45) | — |
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-2020161248-A1 | HERBICIDAL COMPOUNDS | SYNGENTA CROP PROTECTION AG (CH) | 2020-08-13 | — | — | WO | disclosed |