⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4458265 | 0.79 | PLA2G1B (0.39) | — | |
| SCHEMBL1682198 | 0.74 | PLA2G1B (0.37) | — | |
| SCHEMBL12498853 | 0.74 | — | — | |
| SCHEMBL289810 | 0.73 | — | — | |
| SCHEMBL5617172 | 0.70 | PLA2G1B (0.34) | — | |
| SCHEMBL10937040 | 0.70 | GABRR1 (0.30) | — | |
| SCHEMBL2233938 | 0.70 | GABRR1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL30866158 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL181418 | 0.67 | — | — | |
| SCHEMBL2319963 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2482654-A2 | LOW VOLATILE AMINE SALTS OF ANIONIC PESTICIDES | BASF SE (DE) | 2012-08-08 | — | — | EP | disclosed |
| WO-2011039172-A2 | LOW VOLATILE AMINE SALTS OF ANIONIC PESTICIDES | BASF SE (DE) | 2011-04-07 | — | — | WO | disclosed |