Butane

Butane

SCHEMBL28137601

CC(C)(C)OOC(C)(C)C.CCCC.OO

nearest known ligand 0.57

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Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 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
Butane SCHEMBL297926 0.93 TSHR (0.67) TSHRTDP1ALDH1A1
Hydrogen Peroxide SCHEMBL2635895 0.84 TSHR (0.80) TSHRTDP1ALDH1A1HSD17B10
Alcohol SCHEMBL9770103 0.81 TSHR (0.61) TSHRTDP1ALDH1A1
Propane SCHEMBL297421 0.81 TSHR (0.73) TSHRTDP1ALDH1A1
Hexane SCHEMBL3348665 0.79 TSHR (0.57) TSHRTDP1ALDH1A1HSD17B10
Pentane SCHEMBL27304922 0.79 TSHR (0.57) TSHRTDP1ALDH1A1
Butane SCHEMBL28600788 0.78 TSHR (0.35) TSHRTDP1ALDH1A1HSD17B10
Hydrogen Peroxide SCHEMBL28202719 0.78 TSHR (0.57) TSHRTDP1ALDH1A1
Butyric Acid SCHEMBL27562094 0.78 FFAR3 (0.65) TSHRTDP1ALDH1A1HSD17B10
Methyl Alcohol SCHEMBL8043491 0.76 TSHR (0.80) TSHRTDP1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104812473-B Process and apparatus for polymerizing ethylene under ultra-high pressure 西湖朗维尤公司 2017-04-26 CN disclosed