SCHEMBL28816092

SCHEMBL28816092

CCC(C)OC(C)=O.CCC(C)OC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
CHRM2 P08172 1/20 0.56
CHRM4 P08173 1/20 0.56
CHRM1 P11229 1/20 0.56
TBXA2R P21731 1/20 0.56
MAPT P10636 2/20 0.54
GALR3 O60755 1/20 0.54
BLM P54132 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALOX15 P16050 1/20 0.40
ALDH1A1 P00352 5/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 3/20 0.37
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL26183 1.00
SCHEMBL2983907 1.00
SCHEMBL1214198 1.00
Acetone SCHEMBL28887361 0.97 TSHR (0.54) TSHRCHRM2CHRM4CHRM1TBXA2R
Hydrochloric Acid SCHEMBL27485038 0.97 TSHR (0.54) TSHRCHRM2CHRM4CHRM1TBXA2R
Hydrogen Sulfide SCHEMBL28134097 0.97
Ammonia Solution, Strong SCHEMBL10882192 0.97
Methane SCHEMBL28800922 0.97
SCHEMBL29022894 0.97
SCHEMBL28044938 0.97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104370695-B A kind of acetic acid C3-C5 Arrcostab hydrogenation produces the system of C3-C5 alkylol co-production ethanol 湖南瑞源石化股份有限公司 2017-01-04 CN disclosed
CN-104478676-B Preparation and the refining system of butanone Hunan Ruiyuan Petrochemical Co., Ltd. (CN) 2016-03-16 CN disclosed
CN-104402671-B A kind of acetic acid C3-C5 alkyl ester hydrogenation produces the technique of C3-C5 alkyl alcohol co-production ethanol Hunan Ruiyuan Petrochemical Co., Ltd. (CN) 2015-09-09 CN disclosed
CN-104370722-B Preparation and the refining method of butanone Hunan Ruiyuan Petrochemical Co., Ltd. (CN) 2015-08-26 CN disclosed
CN-104478676-A Butanone preparing and refining system HUNAN RUIYUAN PETROCHEMICAL CO LTD 2015-04-01 CN disclosed
CN-104402671-A Technology producing C3-C5 alkyl alcohol and co-producing alcohol by adding hydrogen in acetic acid C3-C5 alkyl ester HUNAN RUIYUAN PETROCHEMICAL CO LTD 2015-03-11 CN disclosed
CN-104370695-A C3-C5 alkyl alcohol and ethanol production system through acetic acid C3-C5 alkyl ester with hydrogen HUNAN RUIYUAN PETROCHEMICAL CO LTD 2015-02-25 CN disclosed
CN-104370722-A Butanone preparation and refining method HUNAN RUIYUAN PETROCHEMICAL CO LTD 2015-02-25 CN disclosed