⚠ 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 | |
|---|---|---|---|---|
| Thiocyanic Acid SCHEMBL1313690 | 0.94 | — | — | |
| Thiocyanic Acid SCHEMBL27331296 | 0.94 | — | — | |
| Thiocyanic Acid SCHEMBL28093174 | 0.88 | — | — | |
| Thiocyanic Acid SCHEMBL28098994 | 0.88 | — | — | |
| Thiocyanic Acid SCHEMBL28081285 | 0.88 | — | — | |
| Thiocyanic Acid SCHEMBL28107907 | 0.88 | — | — | |
| Thiocyanic Acid SCHEMBL28098877 | 0.88 | — | — | |
| Thiocyanic Acid SCHEMBL28098876 | 0.88 | — | — | |
| Thiocyanic Acid SCHEMBL28759732 | 0.88 | — | — | |
| Thiocyanic Acid SCHEMBL28132631 | 0.88 | — | — |
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-106687466-A | Method for producing ethylenedialkylphosphinic acids, esters and salts, and the use thereof as flame retardants | 科莱恩塑料和涂料有限公司 | 2017-05-17 | — | — | CN | disclosed |
| CN-103724372-B | The purposes of ethylene alkyl phosphinic acid, ethylene alkyl phosphinates and ethylene alkyl phosphinate | 科莱恩金融(BVI)有限公司 | 2017-03-01 | — | — | CN | disclosed |