Isobutanol

Isobutanol

SCHEMBL28050779

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

nearest known ligand 0.48

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Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM1 P11229 1/20 0.48
TBXA2R P21731 1/20 0.48
MAPT P10636 2/20 0.47
GALR3 O60755 1/20 0.47
BLM P54132 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALOX15 P16050 1/20 0.35
PRKCA P17252 2/20 0.35
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TRPV1 Q8NER1 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
SCHEMBL28816092 0.91 TSHR (0.56) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL1214198 0.91
SCHEMBL26183 0.91
SCHEMBL2983907 0.91
Propylene Glycol SCHEMBL5067090 0.89 TSHR (0.47) TSHRCHRM2CHRM4CHRM1TBXA2R
Methane SCHEMBL28800922 0.88
SCHEMBL27940253 0.88
SCHEMBL29022894 0.88
Ammonia Solution, Strong SCHEMBL10882192 0.88
Acetone SCHEMBL28887361 0.88 TSHR (0.54) TSHRCHRM2CHRM4CHRM1TBXA2R

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-105175260-A DL-sec-butyl acetate-isobutanol azeotropic mixture continuous extraction rectification separation method UNIV JINAN 2015-12-23 CN claimed
CN-105175260-A DL-sec-butyl acetate-isobutanol azeotropic mixture continuous extraction rectification separation method UNIV JINAN 2015-12-23 CN disclosed