⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13218836 | 0.58 | — | — | |
| SCHEMBL16422201 | 0.58 | — | — | |
| SCHEMBL2043378 | 0.56 | — | — | |
| SCHEMBL257019 | 0.53 | — | — | |
| SCHEMBL12388524 | 0.51 | — | — | |
| SCHEMBL1105725 | 0.49 | — | — | |
| SCHEMBL23848163 | 0.49 | — | — | |
| SCHEMBL6394541 | 0.48 | — | — | |
| SCHEMBL1382945 | 0.48 | — | — | |
| SCHEMBL155376 | 0.46 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3010346-B1 | SUSPENSION CONCENTRATE COMPOSITION COMPRISING ISOTHIAZOLINE INSECTICIDE AND ACTIVATED CHARCOAL | BASF SE (DE) | 2018-06-06 | — | — | EP | disclosed |