⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL51388 | 0.95 | — | — | |
| SCHEMBL11211701 | 0.95 | — | — | |
| Ether SCHEMBL15348818 | 0.76 | — | — | |
| SCHEMBL28794490 | 0.76 | — | — | |
| SCHEMBL29930802 | 0.70 | — | — | |
| SCHEMBL14295892 | 0.68 | — | — | |
| Propane SCHEMBL27351657 | 0.67 | — | — | |
| SCHEMBL1548060 | 0.64 | — | — | |
| SCHEMBL663125 | 0.64 | — | — | |
| Diethyl Sulfide SCHEMBL2152967 | 0.63 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108722677-B | A kind of O- alkyl-S- hydroxyalkyl xanthate collecting agent and its preparation and application | 中南大学 | 2019-06-07 | — | — | CN | disclosed |
| CN-108722677-A | A kind of O- alkyl-S- hydroxyalkyl xanthate collecting agents and its preparation and application | 中南大学 | 2018-11-02 | — | — | CN | disclosed |
| CN-108569989-A | A method of preparing thiourethane co-production 2 mercapto ethanol or O- alkylthio group ethyl xanthates | 中南大学 | 2018-09-25 | — | — | CN | disclosed |