⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL342851 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL1373466 | 0.92 | — | — | |
| SCHEMBL28251979 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL28141150 | 0.92 | — | — | |
| Phosphine SCHEMBL28141160 | 0.92 | — | — | |
| Tetramethylammonium Ion SCHEMBL28141838 | 0.86 | TSHR (0.52) | — | |
| Trimethylammonium SCHEMBL28141825 | 0.86 | TSHR (0.52) | — | |
| Dimethylamine SCHEMBL28141184 | 0.86 | TSHR (0.52) | — | |
| SCHEMBL14557299 | 0.79 | LMNA (0.70) | — | |
| SCHEMBL154914 | 0.78 | — | — |
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-105732580-B | Pesticidal compositions and methods related thereto | 陶氏益农公司 | 2018-12-07 | — | — | CN | disclosed |