⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11085771 | 0.65 | — | — | |
| SCHEMBL11859285 | 0.63 | — | — | |
| SCHEMBL3721998 | 0.62 | — | — | |
| SCHEMBL9569848 | 0.60 | — | — | |
| SCHEMBL9193872 | 0.60 | — | — | |
| SCHEMBL29374909 | 0.60 | — | — | |
| SCHEMBL9303233 | 0.58 | — | — | |
| SCHEMBL9306459 | 0.58 | — | — | |
| SCHEMBL29460286 | 0.58 | — | — | |
| SCHEMBL8616401 | 0.58 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118339174-A | Synthetic glycoconjugate vaccine prototypes against streptococcus suis | 蒙特利尔大学 | 2024-07-12 | — | — | CN | disclosed |
| CN-115353482-B | Preparation method of trifluoromethyl and selenium substituted azaspiro [4,5] -tetraenone compound | 浙江理工大学 | 2023-10-03 | — | — | CN | disclosed |
| CN-116813544-A | Preparation method of heating-promoted 2-trifluoromethyl-substituted quinoline compound | 浙江理工大学 | 2023-09-29 | — | — | CN | disclosed |
| CN-116640097-A | Preparation method of fatty amine-participated 5-trifluoromethyl-substituted 1,2, 4-triazole compound | 浙江理工大学 | 2023-08-25 | — | — | CN | disclosed |
| CN-116396340-A | Synthesis method of 6, 7-dideoxy-7-diethyl phosphate-D-mannoheptulose trifluoroacetyl imine ester donor | 中国药科大学 | 2023-07-07 | — | — | CN | disclosed |
| CN-116253692-A | Preparation method of trifluoromethyl substituted 1,2, 4-triazine compound | 浙江理工大学 | 2023-06-13 | — | — | CN | disclosed |
| CN-113121619-B | Method for catalyzing phenol hydroxyl glycosylation by using organic thiourea | 江西师范大学 | 2023-06-09 | — | — | CN | disclosed |