⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22360471 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL11528590 | 0.72 | — | — | |
| SCHEMBL11528592 | 0.72 | — | — | |
| Trifluoroacetic Acid SCHEMBL28236099 | 0.71 | LMNA (0.37) | — | |
| Bicarbonate SCHEMBL25436122 | 0.70 | LMNA (0.41) | — | |
| Bicarbonate SCHEMBL319318 | 0.70 | LMNA (0.41) | — | |
| Propene SCHEMBL28227383 | 0.69 | ALDH1A1 (0.40) | — | |
| Bicarbonate SCHEMBL4337345 | 0.69 | — | — | |
| Bicarbonate SCHEMBL6436190 | 0.68 | LMNA (0.39) | — | |
| Carbamic Acid SCHEMBL867375 | 0.66 | ACHE (0.44) | — |
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-2020165310-A1 | PYRIDINIUM COMPOUNDS AND THEIR USE AS HERBICIDES | SYNGENTA CROP PROTECTION AG (CH) | 2020-08-20 | — | — | WO | disclosed |