⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28791399 | 0.75 | — | — | |
| SCHEMBL10620209 | 0.74 | — | — | |
| SCHEMBL738258 | 0.67 | — | — | |
| SCHEMBL8007489 | 0.65 | ALDH1A1 (0.44) | — | |
| SCHEMBL19848643 | 0.64 | — | — | |
| SCHEMBL19848630 | 0.64 | — | — | |
| SCHEMBL28939816 | 0.64 | PARL (0.31) | — | |
| SCHEMBL7761904 | 0.63 | — | — | |
| SCHEMBL3657642 | 0.63 | — | — | |
| SCHEMBL7086526 | 0.63 | PARL (0.30) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112778190-A | Synthesis method of succinimide type trifluoromethyl sulfide reagent | 山东领海生物科技有限公司 | 2021-05-11 | — | — | CN | claimed |
| 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-B | Preparation method of alkynyl thioether compound | 江苏医药职业学院 | 2024-02-13 | — | — | CN | disclosed |
| CN-115583902-A | Preparation method of alkynyl thioether compound | 江苏医药职业学院 | 2023-01-10 | — | — | CN | disclosed |
| CN-112778190-B | Synthesis method of succinimide type trifluoromethyl sulfide reagent | 山东领海生物科技有限公司 | 2022-08-23 | — | — | CN | disclosed |
| CN-112778190-B | Synthesis method of succinimide type trifluoromethyl sulfide reagent | 山东领海生物科技有限公司 | 2022-08-23 | — | — | 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-113860981-A | Preparation method of trifluoromethyl thioester | 山东大学 | 2021-12-31 | — | — | CN | disclosed |
| CN-112778190-A | Synthesis method of succinimide type trifluoromethyl sulfide reagent | 山东领海生物科技有限公司 | 2021-05-11 | — | — | CN | disclosed |
| CN-112778190-A | Synthesis method of succinimide type trifluoromethyl sulfide reagent | 山东领海生物科技有限公司 | 2021-05-11 | — | — | 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 |