Butylated Hydroxytoluene

Butylated Hydroxytoluene

SCHEMBL6655653

CCCCNCCCC.Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.62

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
CA2 P00918 2/20 0.62
POLB P06746 1/20 0.62
TYR P14679 1/20 0.62
HSPA5 P11021 1/20 0.51
HIF1A Q16665 3/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
NR5A2 O00482 1/20 0.48
NR5A1 Q13285 1/20 0.48
GSR P00390 2/20 0.46
CYP2D6 P10635 2/20 0.45
HSD17B10 Q99714 1/20 0.45
CA1 P00915 1/20 0.44
SCN2A Q99250 1/20 0.44
KMT2A Q03164 2/20 0.43
GAA P10253 2/20 0.43
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40

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 SCHEMBL28288111 0.87 CA2 (0.75) ALDH1A1SMN1; SMN2CA2POLBTYR
Butylated Hydroxytoluene SCHEMBL8843671 0.82 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2CA2POLBTYR
Butylated Hydroxytoluene SCHEMBL28414857 0.79 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2CA2POLBTYR
Butylated Hydroxytoluene SCHEMBL994118 0.79 ALDH1A1 (0.82) ALDH1A1SMN1; SMN2CA2POLBTYR
Butylated Hydroxytoluene SCHEMBL453824 0.79 SMN1; SMN2 (1.00) ALDH1A1SMN1; SMN2CA2POLBTYR
Butylated Hydroxytoluene SCHEMBL3950 0.79 SMN1; SMN2 (1.00) ALDH1A1SMN1; SMN2CA2POLBTYR
Tetrabuthylammonium SCHEMBL29217975 0.78 SMN1; SMN2 (0.60) ALDH1A1SMN1; SMN2CA2POLBTYR
Butylated Hydroxytoluene SCHEMBL125095 0.77 SMN1; SMN2 (0.78) ALDH1A1SMN1; SMN2CA2POLBTYR
Butylated Hydroxytoluene SCHEMBL61353 0.77 SMN1; SMN2 (0.86) ALDH1A1SMN1; SMN2CA2POLBTYR
Butylated Hydroxytoluene SCHEMBL11857289 0.77 SMN1; SMN2 (0.95) ALDH1A1SMN1; SMN2CA2POLBTYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1004587-B1 3-Methacryloxyisobutylalkoxysilanes and 3-acryloxyisobutylalkoxysilanes DEGUSSA (DE) 2004-07-14 EP disclosed
EP-1004587-A2 3-Methacryloxyisobutylalkoxysilanes and 3-acryloxyisobutylalkoxysilanes Degussa-Hüls Aktiengesellschaft (DE) 2000-05-31 EP disclosed
EP-0472438-B1 Processes for the preparation of y-methacryloxypropylsilane compounds TONEN CORP (JP) 1996-12-18 EP disclosed
EP-0472438-A1 Processes for the preparation of y-methacryloxypropylsilane compounds Tonen Corporation (JP) 1992-02-26 EP disclosed