⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24344 | 0.87 | — | — | |
| SCHEMBL28502998 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL6918990 | 0.75 | — | — | |
| SCHEMBL17442495 | 0.75 | — | — | |
| SCHEMBL5395693 | 0.75 | — | — | |
| SCHEMBL23702405 | 0.75 | — | — | |
| Water SCHEMBL15737877 | 0.75 | — | — | |
| SCHEMBL23275596 | 0.75 | — | — | |
| SCHEMBL19858520 | 0.75 | — | — | |
| Water SCHEMBL29078557 | 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-105928926-A | Sample preparation method and detection method for water-soluble heavy metal elements in solid waste | 攀钢集团研究院有限公司 | 2016-09-07 | — | — | CN | disclosed |