SCHEMBL28211362

SCHEMBL28211362

CCC(OC(=O)O)=C(F)F

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.38
TDP1 Q9NUW8 2/20 0.32
ALDH1A1 P00352 2/20 0.32
SOAT1 P35610 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL704833 0.83 FFAR3 (0.47) FFAR3TDP1ALDH1A1SOAT1
SCHEMBL5441759 0.80
SCHEMBL14775478 0.76 ALDH1A1 (0.40) FFAR3TDP1ALDH1A1SOAT1
SCHEMBL983667 0.74 ALDH1A1 (0.38) FFAR3TDP1ALDH1A1SOAT1
SCHEMBL712680 0.70 ALDH1A1 (0.50) FFAR3TDP1ALDH1A1
Tetrafluoroethylene SCHEMBL28171597 0.70
SCHEMBL14775275 0.68 FFAR3 (0.38) FFAR3TDP1ALDH1A1SOAT1
Bicarbonate SCHEMBL9843665 0.67 FFAR3 (0.50) FFAR3TDP1ALDH1A1SOAT1
Alcohol SCHEMBL28609132 0.67 FFAR3 (0.50) FFAR3TDP1ALDH1A1SOAT1
Butane SCHEMBL5064963 0.67 FFAR3 (0.50) FFAR3TDP1ALDH1A1SOAT1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110233290-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2019-09-13 CN disclosed
CN-110212235-A A kind of lithium secondary cell electrolyte and its lithium secondary battery reducing battery impedance 广州天赐高新材料股份有限公司 2019-09-06 CN disclosed
CN-110176631-A Lithium secondary battery electrolyte capable of reducing internal resistance of battery and lithium secondary battery 广州天赐高新材料股份有限公司 2019-08-27 CN disclosed
CN-104966849-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2019-06-07 CN disclosed
CN-108091826-A Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2018-05-29 CN disclosed
CN-104080780-B Derivative, its preparation method and its purposes as solvent additive of the meldrum's acid of fluorination 索尔维公司 2018-04-13 CN disclosed