Tert-Butyl Hydroperoxide

Tert-Butyl Hydroperoxide

SCHEMBL11199804

CC(=O)CC(C)(OO)OOC(C)(CC(C)=O)OO.CC(C)(C)OO

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
TDP1 Q9NUW8 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL72719 0.95 TSHR (0.50) TSHRALDH1A1GAAMGAMSI
SCHEMBL11313847 0.87 TSHR (0.67) TSHRALDH1A1GAAMGAMSI
SCHEMBL2460285 0.87 TSHR (0.43) TSHRGAAMGAMSIMGAM2
SCHEMBL14861984 0.85 TSHR (0.41) TSHRGAA
SCHEMBL11316645 0.82 TSHR (0.39) TSHRALDH1A1TDP1
SCHEMBL45349 0.74 TSHR (0.48) TSHRALDH1A1GAAMGAMSI
Butanone SCHEMBL8530458 0.73 TSHR (0.73) TSHRALDH1A1GAATDP1
SCHEMBL7947521 0.73 TSHR (0.52) TSHRTDP1
SCHEMBL7948509 0.73 TSHR (0.46) TSHRALDH1A1GAA
Tert-Butyl Hydroperoxide SCHEMBL27930064 0.72 ALDH1A1 (0.59) TSHRALDH1A1GAAMGAMSI

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
EP-0080969-A1 A method of removing residual acrylonitrile from latex systems THE GOODYEAR TIRE & RUBBER COMPANY (US) 1983-06-08 EP disclosed