Propane

Propane

SCHEMBL28218331

CC1CCC(O)CC1.CCC

nearest known ligand 0.46

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.46
TSHR P16473 1/20 0.37
TRPA1 O75762 2/20 0.32
TRPM8 Q7Z2W7 2/20 0.32
PHGDH O43175 1/20 0.32
MGLL Q99685 1/20 0.32
ESR2 Q92731 1/20 0.31
EPHX2 P34913 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31
EPHX1 P07099 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL178952 0.90
SCHEMBL11799 0.90
SCHEMBL441286 0.90
Methyl Alcohol SCHEMBL27464623 0.87 TSHR (0.41) SHBGTSHRTRPA1TRPM8ESR2
Ethane SCHEMBL27625986 0.87 TSHR (0.41) SHBGTSHRTRPA1TRPM8ESR2
Propane SCHEMBL10796391 0.83
Butanol SCHEMBL11287738 0.82 SHBG (0.48) SHBGTSHRTRPA1TRPM8
SCHEMBL16248250 0.81 TSHR (0.37) SHBGTSHRTRPA1TRPM8ESR2
SCHEMBL14318801 0.81 TSHR (0.37) SHBGTSHRTRPA1TRPM8ESR2
SCHEMBL2612208 0.81 TSHR (0.37) SHBGTSHRTRPA1TRPM8ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106604957-B Plasticizer composition comprising polymerizeing dicarboxylic ester 巴斯夫欧洲公司 2019-11-05 CN disclosed
CN-106661294-B Plasticizer composition comprising polymerizeing dicarboxylic ester 巴斯夫欧洲公司 2019-07-16 CN disclosed
CN-107428990-B Plasticizer composition comprising polymerization dicarboxylic ester and dimethyl terephthalate ester 巴斯夫欧洲公司 2019-07-12 CN disclosed
CN-107108958-B Plasticizer composition comprising cycloalkyl esters of saturated dicarboxylic acids and 1, 2-cyclohexanedicarboxylic acid esters 巴斯夫欧洲公司 2019-06-14 CN disclosed
CN-106795324-B The plasticizer composition of cycloalkyl ester and terephthalate comprising saturated dicarboxylic acid 巴斯夫欧洲公司 2019-06-14 CN disclosed
CN-109867594-A The method that alcohol is obtained by aldehyde 赢创德固赛有限公司 2019-06-11 CN disclosed
CN-109867595-A Method for obtaining alcohols from aldehydes 赢创德固赛有限公司 2019-06-11 CN disclosed
CN-109867588-A Method for obtaining alcohols from aldehydes 赢创德固赛有限公司 2019-06-11 CN disclosed
CN-109843848-A Method for producing hydroxyalkyl carboxylic acid esters 巴斯夫欧洲公司 2019-06-04 CN disclosed
CN-106232571-B The method of carboxylate and its purposes as plasticiser are prepared in the presence of ionic liquid and acid esterification catalyst 巴斯夫欧洲公司 2019-05-28 CN disclosed
CN-109563306-A Plasticizer composition 巴斯夫欧洲公司 2019-04-02 CN disclosed
CN-105555831-B The purposes of polyester and polyester in the lubricant 巴斯夫欧洲公司 2019-01-15 CN disclosed
CN-109196034-A Polymer compositions comprising cycloalkylalkyl dicarboxylic diesters as plasticizers 巴斯夫欧洲公司 2019-01-11 CN disclosed
CN-108699289-A Plasticizer composition comprising aliphatic dicarboxylic acid ester and diester selected from 1, 2-cyclohexane dicarboxylic acid ester and terephthalic acid ester 巴斯夫欧洲公司 2018-10-23 CN disclosed
CN-108137851-A Plasticizer compositions comprising polymeric dicarboxylate and dicarboxylic diester 巴斯夫欧洲公司 2018-06-08 CN disclosed
CN-108137852-A Plasticizer composition comprising polymerization dicarboxylic ester and 1,2- cyclohexane cyclohexanedimethanodibasic esters 巴斯夫欧洲公司 2018-06-08 CN disclosed
CN-108137853-A Plasticizer composition comprising polymerization dicarboxylic ester and dimethyl terephthalate ester 巴斯夫欧洲公司 2018-06-08 CN disclosed
CN-108137850-A Plasticizer composition comprising polymeric dicarboxylate and dialkyl phthalate 巴斯夫欧洲公司 2018-06-08 CN disclosed