⚠ 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 | |
|---|---|---|---|---|
| Arsenic SCHEMBL27974804 | 0.89 | — | — | |
| Arsenic SCHEMBL28261226 | 0.89 | — | — | |
| Arsenic SCHEMBL26107782 | 0.89 | — | — | |
| Arsenic SCHEMBL28071695 | 0.89 | — | — | |
| SCHEMBL9469869 | 0.89 | — | — | |
| Arsenic SCHEMBL28960366 | 0.84 | — | — | |
| Arsenic SCHEMBL28529037 | 0.84 | — | — | |
| Arsenic SCHEMBL28641555 | 0.80 | — | — | |
| SCHEMBL27623379 | 0.80 | — | — | |
| Arsenic SCHEMBL6113647 | 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-107936972-A | A kind of composite passivant and its application method of remediating heavy metal combined pollution agricultural land soil | 广西博世科环保科技股份有限公司 | 2018-04-20 | — | — | CN | disclosed |