⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL78595 | 1.00 | TTR (1.00) | — | |
| SCHEMBL6057268 | 1.00 | TTR (1.00) | — | |
| SCHEMBL3137720 | 1.00 | TTR (1.00) | — | |
| SCHEMBL1119 | 1.00 | TTR (1.00) | — | |
| Dioxane SCHEMBL3631647 | 1.00 | TTR (1.00) | — | |
| Dioxane SCHEMBL9836999 | 1.00 | — | — | |
| SCHEMBL16041435 | 1.00 | TTR (1.00) | — | |
| SCHEMBL3137753 | 1.00 | TTR (1.00) | — | |
| SCHEMBL11207601 | 1.00 | TTR (1.00) | — | |
| SCHEMBL11334265 | 1.00 | TTR (1.00) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108929279-A | A kind of fluorine-containing Aminopyrazine class compound and the preparation method and application thereof | 同济大学 | 2018-12-04 | — | — | CN | disclosed |
| CN-102718712-B | Preparation method of 3-difluoro-methyl pyrazole-4-carboxylic acid and 3-trifluoro-methyl pyrazole-4-carboxylic acid | JIANGSU WEIER CHEMICAL CO LTD | 2015-04-29 | — | — | CN | disclosed |
| CN-102827140-B | Liquid crystal monomer fluorine dioxane contained compound and synthesis method thereof | SHANDONG SHENGHUA ELECTRONIC NEW MATERIALS CO LTD | 2014-07-30 | — | — | CN | disclosed |
| CN-102827140-B | Liquid crystal monomer fluorine dioxane contained compound and synthesis method thereof | SHANDONG SHENGHUA ELECTRONIC NEW MATERIALS CO LTD | 2014-07-30 | — | — | CN | disclosed |
| CN-102827140-A | Liquid crystal monomer fluorine dioxane contained compound and synthesis method thereof | SHANDONG SHENGHUA ELECTRONIC NEW MATERIALS CO LTD | 2012-12-19 | — | — | CN | disclosed |
| CN-102827140-A | Liquid crystal monomer fluorine dioxane contained compound and synthesis method thereof | SHANDONG SHENGHUA ELECTRONIC NEW MATERIALS CO LTD | 2012-12-19 | — | — | CN | disclosed |
| CN-102731402-A | Preparation method of 3-trifluoromethylpyrazole-4-carboxylic acid and 3-difluoromethylpyrazole-4-carboxylic acid | SHANGHAI CHEMSPEC INTERNAT LTD | 2012-10-17 | — | — | CN | disclosed |
| CN-102718712-A | Preparation method of 3-difluoro-methyl pyrazole-4-carboxylic acid and 3-trifluoro-methyl pyrazole-4-carboxylic acid | SHANGHAI CHEMSPEC INTERNAT LTD | 2012-10-10 | — | — | CN | disclosed |
| US-5118804-A | Reacting a monosaccharide or reducible di- or oligosaccharide with a thiol or alcohol in the presence of poly-(hydrogen fluoride)-pyridinium solvent | BEGHIN-SAY, SA (FR) | 1992-06-02 | — | — | US | disclosed |
| US-3997652-A | OF HYDROGEN FLUORIDE, SODIUM FLUORIDE ABSORBENT | TELLER ENVIRONMENTAL SYSTEMS, INC. (US) | 1976-12-14 | — | — | US | disclosed |
| US-3935294-A | VAPOR PHASE CHROMATOGRAPHY | TELLER ENVIRONMENTAL SYSTEMS, INC. (US) | 1976-01-27 | — | — | US | disclosed |
| US-3932589-A | FORMATION OF THERMALLY DECOMPOSABLE MOLECULE | TELLER ENVIRONMENTAL SYSTEMS, INC. (US) | 1976-01-13 | — | — | US | disclosed |