Ethyl Acetate

Ethyl Acetate

SCHEMBL28705165

CC(C)OC(=O)OOC(=O)OC(C)C.CCOC(C)=O

nearest known ligand 0.58

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Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
LMNA P02545 3/20 0.58
HSD17B10 Q99714 1/20 0.58
TSHR P16473 4/20 0.46
SOAT1 P35610 1/20 0.39
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
GLO1 Q04760 1/20 0.32

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
Ethyl Acetate SCHEMBL364396 0.89 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRSOAT1
SCHEMBL11767605 0.87 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10TSHRSOAT1
SCHEMBL10590813 0.87 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10TSHRSOAT1
Ethyl Acetate SCHEMBL1528836 0.85 ALDH1A1 (0.67) ALDH1A1LMNAHSD17B10TSHRSOAT1
Ethyl Acetate SCHEMBL28072193 0.81 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRSOAT1
SCHEMBL187616 0.80
Ethyl Acetate SCHEMBL28175030 0.79 ALDH1A1 (0.58) ALDH1A1LMNAHSD17B10TSHRSOAT1
Ethyl Acetate SCHEMBL28188358 0.79 ALDH1A1 (0.58) ALDH1A1LMNAHSD17B10TSHRSOAT1
Ethyl Acetate SCHEMBL28861856 0.79 ALDH1A1 (0.58) ALDH1A1LMNAHSD17B10TSHRSOAT1
SCHEMBL35335 0.79 TSHR (0.53) ALDH1A1LMNAHSD17B10TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110627942-B Fluorine-containing thermoplastic elastomer, preparation method and application thereof 浙江省化工研究院有限公司 2022-02-18 CN disclosed
CN-110627942-A Fluorine-containing thermoplastic elastomer, preparation method and application thereof 浙江省化工研究院有限公司 2019-12-31 CN disclosed