⚠ 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 SCHEMBL27096128 | 1.00 | — | — | |
| Arsenic SCHEMBL27937234 | 1.00 | — | — | |
| Arsenic SCHEMBL28133753 | 0.89 | — | — | |
| Arsenic SCHEMBL15993633 | 0.87 | — | — | |
| Arsenic SCHEMBL21750353 | 0.87 | — | — | |
| Arsenic SCHEMBL27628120 | 0.87 | — | — | |
| Arsenic SCHEMBL23497033 | 0.82 | — | — | |
| Arsenic SCHEMBL9742654 | 0.75 | — | — | |
| Selenium SCHEMBL10996374 | 0.75 | — | — | |
| Arsenic SCHEMBL28548652 | 0.75 | — | — |
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-108244459-A | A kind of method for removing vegetables heavy metal | 山东青果食品有限公司 | 2018-07-06 | — | — | CN | disclosed |