Tert-Butyl Hydroperoxide

Tert-Butyl Hydroperoxide

SCHEMBL7205825

CC(C)(C)OO.CCC(C)(C)OOC(=O)c1ccccc1

nearest known ligand 0.65

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.65
TSHR P16473 3/20 0.65
ALDH1A1 P00352 3/20 0.65
HSD17B10 Q99714 1/20 0.65
LMNA P02545 2/20 0.48
F2 P00734 1/20 0.48
CYP2D6 P10635 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SLC6A3 Q01959 3/20 0.41
HTR1A P08908 1/20 0.41
SCN1A P35498 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
ADRB2 P07550 1/20 0.38

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
SCHEMBL25264 0.94 TDP1 (0.68) TDP1TSHRALDH1A1HSD17B10LMNA
Tert-Butyl Hydroperoxide SCHEMBL28098403 0.90 TDP1 (0.69) TDP1TSHRALDH1A1HSD17B10LMNA
Benzoyl Peroxide SCHEMBL28382693 0.87 TDP1 (0.62) TDP1TSHRALDH1A1HSD17B10LMNA
SCHEMBL29201232 0.87 TDP1 (0.69) TDP1TSHRALDH1A1HSD17B10LMNA
Dodecane SCHEMBL12471833 0.86 TDP1 (0.58) TDP1TSHRALDH1A1HSD17B10LMNA
Tert-Butyl Hydroperoxide SCHEMBL22291174 0.85 TDP1 (0.89) TDP1TSHRALDH1A1HSD17B10LMNA
SCHEMBL659618 0.84 TDP1 (0.59) TDP1TSHRALDH1A1HSD17B10LMNA
SCHEMBL43962 0.83 TDP1 (0.72) TDP1TSHRALDH1A1HSD17B10LMNA
Benzoyl Peroxide SCHEMBL4202824 0.83 TDP1 (0.71) TDP1TSHRALDH1A1HSD17B10LMNA
SCHEMBL28080657 0.82 TDP1 (0.83) TDP1TSHRALDH1A1HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0837885-A4 PEROXIDE CROSSLINKING OF ROMP POLYMERS CALIFORNIA INST OF TECHN (US) 2003-05-21 EP disclosed
EP-0837885-A1 PEROXIDE CROSSLINKING OF ROMP POLYMERS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-04-29 EP disclosed
WO-1997003096-A1 PEROXIDE CROSSLINKING OF ROMP POLYMERS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1997-01-30 WO disclosed