⚠ 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 SCHEMBL3794607 | 0.82 | — | — | |
| Arsenic SCHEMBL10390426 | 0.82 | — | — | |
| SCHEMBL16086237 | 0.67 | — | — | |
| Phosphine SCHEMBL11841709 | 0.67 | — | — | |
| SCHEMBL16085961 | 0.67 | — | — | |
| Arsenic SCHEMBL9742328 | 0.67 | — | — | |
| Arsenic SCHEMBL10359915 | 0.67 | — | — | |
| Arsenic SCHEMBL11113975 | 0.67 | — | — | |
| Arsenic SCHEMBL16859355 | 0.67 | — | — | |
| Water SCHEMBL11902862 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107884393-A | The assay method of lead, zinc, titanium, nickel, P elements in a kind of chrome ore | 阿拉山口出入境检验检疫局综合技术服务中心 | 2018-04-06 | — | — | CN | disclosed |