⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29202816 | 0.82 | — | — | |
| SCHEMBL7086526 | 0.82 | PARL (0.30) | — | |
| SCHEMBL28449846 | 0.79 | — | — | |
| SCHEMBL9863926 | 0.76 | — | — | |
| SCHEMBL25317166 | 0.63 | POLB (0.47) | — | |
| SCHEMBL168847 | 0.62 | — | — | |
| SCHEMBL22651309 | 0.62 | — | — | |
| SCHEMBL23500212 | 0.62 | — | — | |
| SCHEMBL6261102 | 0.60 | PIK3CD (0.32) | — | |
| SCHEMBL4955196 | 0.60 | PARL (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112608260-A | Method for synthesizing aromatic vinyl trifluoro-methyl sulfide compound by removing boric acid | 江南大学 | 2021-04-06 | — | — | CN | claimed |
| CN-115583902-A | Preparation method of alkynyl thioether compound | 江苏医药职业学院 | 2023-01-10 | — | — | CN | disclosed |
| CN-112608260-B | Method for synthesizing aromatic vinyl trifluoro-methyl sulfide compound by removing boric acid | 江南大学 | 2022-06-10 | — | — | CN | disclosed |
| CN-112608260-A | Method for synthesizing aromatic vinyl trifluoro-methyl sulfide compound by removing boric acid | 江南大学 | 2021-04-06 | — | — | CN | disclosed |