⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14722063 | 0.89 | — | — | |
| SCHEMBL1357 | 0.89 | — | — | |
| SCHEMBL29859818 | 0.89 | — | — | |
| Methane SCHEMBL1005333 | 0.80 | — | — | |
| Lithium SCHEMBL318376 | 0.80 | — | — | |
| SCHEMBL1519002 | 0.80 | — | — | |
| SCHEMBL1485806 | 0.80 | — | — | |
| Hydrogen Sulfide SCHEMBL1485812 | 0.80 | — | — | |
| Fluoride SCHEMBL8137697 | 0.80 | — | — | |
| SCHEMBL3248062 | 0.80 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110452146-A | Trifluoromethyl seleno-amino acids derivative and preparation method thereof | UNIV WUHAN TECH | 2019-11-15 | — | — | CN | claimed |
| CN-107118143-B | The preparation method of the trifluoromethyl diaryliodonium of nickel catalysis | 武汉理工大学 | 2019-05-24 | — | — | CN | claimed |
| CN-107118143-A | The preparation method of the trifluoromethyl diaryliodonium of nickel catalysis | 武汉理工大学 | 2017-09-01 | — | — | CN | claimed |
| CN-110452146-A | Trifluoromethyl seleno-amino acids derivative and preparation method thereof | UNIV WUHAN TECH | 2019-11-15 | — | — | CN | disclosed |
| CN-110452146-A | Trifluoromethyl seleno-amino acids derivative and preparation method thereof | UNIV WUHAN TECH | 2019-11-15 | — | — | CN | disclosed |
| CN-110407727-A | A method of preparing alkyl trifluoromethyl selenide | UNIV WUHAN TECH | 2019-11-05 | — | — | CN | disclosed |
| CN-110372565-A | The acylated fluoroform seleno difunctionality dough method of the N- of indole derivatives | 武汉理工大学 | 2019-10-25 | — | — | CN | disclosed |
| CN-107118143-B | The preparation method of the trifluoromethyl diaryliodonium of nickel catalysis | 武汉理工大学 | 2019-05-24 | — | — | CN | disclosed |
| CN-109053536-A | The fluoroform seleno method of electron rich aromatic hydrocarbons or the miscellaneous hydrocarbon of virtue | 武汉理工大学 | 2018-12-21 | — | — | CN | disclosed |
| CN-107118143-A | The preparation method of the trifluoromethyl diaryliodonium of nickel catalysis | 武汉理工大学 | 2017-09-01 | — | — | CN | disclosed |