Hexane

Hexane

SCHEMBL28090484

CC(C)C[Al](Cl)CC(C)C.CCCCCC

nearest known ligand 0.37

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Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.37
THRB P10828 1/20 0.37
OPRM1 P35372 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TRPM8 Q7Z2W7 6/20 0.34
DNM1 Q05193 6/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 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
SCHEMBL21699 0.85
SCHEMBL28334064 0.82
Hexane SCHEMBL20240180 0.77 TSHR (0.41) TSHRTHRBOPRM1TRPM8DNM1
Heptane SCHEMBL3905264 0.74 TSHR (0.47) TSHRTHRBOPRM1ALDH1A1TRPM8
SCHEMBL15771297 0.74 DNM1 (0.35) TSHROPRM1ALDH1A1DNM1TDP1
Hexane SCHEMBL28579709 0.71 TSHR (0.58) TSHRTHRBOPRM1ALDH1A1TRPM8
Hexane SCHEMBL28099488 0.71 TSHR (0.58) TSHRTHRBALDH1A1DNM1TDP1
Pentane SCHEMBL8679357 0.71 TSHR (0.44) TSHRTHRBOPRM1TRPM8LMNA
SCHEMBL7932503 0.70 TSHR (0.35) TSHRTHRBOPRM1TRPM8DNM1
Hexane SCHEMBL21903194 0.69 TSHR (0.47) TSHRTHRBALDH1A1DNM1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112552440-A Semi-continuous preparation method of catalyst for rare earth butadiene rubber 中国科学院长春应用化学科技总公司 2021-03-26 CN claimed
CN-112430283-A Preparation method of uniform rare earth butadiene rubber catalyst 中国科学院长春应用化学科技总公司 2021-03-02 CN claimed
CN-213995707-U A catalyst semicontinuous production device for tombarthite butadiene rubber 中国科学院长春应用化学科技总公司 2021-08-20 CN disclosed
CN-112552440-A Semi-continuous preparation method of catalyst for rare earth butadiene rubber 中国科学院长春应用化学科技总公司 2021-03-26 CN disclosed
CN-112430283-A Preparation method of uniform rare earth butadiene rubber catalyst 中国科学院长春应用化学科技总公司 2021-03-02 CN disclosed
CN-111116778-A Pi-allyl type rare earth butadiene rubber initiator and preparation method thereof 青岛维实催化新材料科技有限责任公司 2020-05-08 CN disclosed
CN-105859932-B Rare earth isoprene rubber catalyst process method 中国石油天然气股份有限公司 2018-07-13 CN disclosed
CN-106188356-A A kind of Tetraheteropoly rare earth catalyst system and catalyzing and its preparation method and application 浙江传化合成材料有限公司 2016-12-07 CN disclosed
CN-105859932-A Rare earth isoprene rubber catalyst process method 中国石油天然气股份有限公司 2016-08-17 CN disclosed