⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL33344 | 0.96 | — | — | |
| SCHEMBL27260061 | 0.92 | — | — | |
| SCHEMBL27499104 | 0.92 | — | — | |
| SCHEMBL27485390 | 0.92 | — | — | |
| SCHEMBL27401866 | 0.92 | — | — | |
| SCHEMBL23451799 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL6859154 | 0.92 | — | — | |
| Iodide SCHEMBL28911911 | 0.92 | — | — | |
| SCHEMBL27352916 | 0.92 | — | — | |
| SCHEMBL27481866 | 0.92 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113304887-B | Amino xanthate sulfide ore collecting agent and preparation method and application thereof | 北京矿冶研究总院 | 2022-05-31 | — | — | CN | disclosed |
| CN-113304887-A | Amino xanthate sulfide ore collecting agent and preparation method and application thereof | 北京矿冶研究总院 | 2021-08-27 | — | — | CN | disclosed |