Butylated Hydroxytoluene

Butylated Hydroxytoluene

SCHEMBL1020095

CCCCc1cccc(C)c1O.Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.50

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ CA2 P00918 3/20 0.50
▸ TYR P14679 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ CYP2C9 P11712 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ HIF1A Q16665 2/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ HSPA5 P11021 1/20 0.46
▸ GABRA1 P14867 2/20 0.46
▸ GABRB2 P47870 2/20 0.46
▸ PTGS2 P35354 2/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ SCN2A Q99250 2/20 0.41
▸ EGFR P00533 1/20 0.38
▸ PTGS1 P23219 1/20 0.37
▸ IAPP P10997 1/20 0.37
▸ MAPT P10636 2/20 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
Butylated Hydroxytoluene SCHEMBL28014636 0.84 ALOX5 (0.64) SMN1; SMN2CA2TYRALDH1A1POLB
SCHEMBL29558088 0.83 ALOX5 (0.54) TYRALDH1A1GABRA1GABRB2PTGS2
Butylated Hydroxytoluene SCHEMBL8644225 0.83 CA2 (0.50) SMN1; SMN2CA2TYRALDH1A1POLB
Butylated Hydroxytoluene SCHEMBL1426526 0.83 SMN1; SMN2 (0.50) SMN1; SMN2CA2TYRALDH1A1POLB
SCHEMBL21838 0.83 ALOX5 (0.54) TYRALDH1A1GABRA1GABRB2PTGS2
SCHEMBL28838335 0.82 ALOX5 (0.53) TYRALDH1A1GABRA1GABRB2PTGS2
Water SCHEMBL27618995 0.82 ALOX5 (0.53) TYRALDH1A1GABRA1GABRB2PTGS2
SCHEMBL9114680 0.81 HSPA5 (0.66) SMN1; SMN2CA2TYRALDH1A1POLB
Butylated Hydroxytoluene SCHEMBL28260923 0.79 TYR (0.51) SMN1; SMN2CA2TYRALDH1A1POLB
SCHEMBL2208339 0.79 CA2 (0.55) CA2TYRGABRA1GABRB2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103384570-B Multilayer film ALLNEX AUSTRIA GMBH (AT) 2016-05-11 — — CN disclosed
EP-2300486-A1 METHOD FOR PREVENTING POLYMERIZATION OF UNSATURATED ORGANOSILICON COMPOUNDS Wacker Chemie AG (DE) 2011-03-30 — — EP disclosed
EP-2278952-A1 SKIN AND HAND CLEANSERS Evonik Stockhausen GmbH (DE) 2011-02-02 — — EP disclosed
US-20110021398-A1 SKIN AND HAND CLEANSERS EVONIK STOCKHAUSEN GMBH (DE) 2011-01-27 — — US disclosed
US-5772921-A HEAT, LIGHT AND OXIDATION STABILIZERS FOR POLYMERS CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-06-30 — — US disclosed
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