Tert-Butyl Hydroperoxide

Tert-Butyl Hydroperoxide

SCHEMBL20162080

CC(C)(C)OO.CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.77
ALDH1A1 P00352 4/20 0.71
ALOX15 P16050 1/20 0.71
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
KCNN4 O15554 3/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 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
Tert-Butyl Hydroperoxide SCHEMBL28481774 0.96 MAPK1 (0.71) MAPK1ALDH1A1ALOX15ESR1ESR2
Cumene Hydroperoxide SCHEMBL27711546 0.91 ALDH1A1 (0.86) MAPK1ALDH1A1ALOX15ESR1ESR2
Hydrogen Peroxide SCHEMBL22163808 0.91 MAPK1 (0.94) MAPK1ALDH1A1ALOX15ESR1ESR2
Cumene Hydroperoxide SCHEMBL874175 0.88 ALDH1A1 (0.91) MAPK1ALDH1A1ALOX15ESR1ESR2
Methyl Alcohol SCHEMBL28217041 0.88 MAPK1 (0.90) MAPK1ALDH1A1ALOX15ESR1ESR2
Benzene SCHEMBL25312146 0.88 MAPK1 (1.00) MAPK1ALDH1A1ALOX15ESR1ESR2
SCHEMBL15450 0.88 MAPK1 (1.00) MAPK1ALDH1A1ALOX15ESR1ESR2
SCHEMBL27506519 0.88 MAPK1 (1.00) MAPK1ALDH1A1ALOX15ESR1ESR2
SCHEMBL8939342 0.88 MAPK1 (1.00) MAPK1ALDH1A1ALOX15ESR1ESR2
SCHEMBL20578229 0.86 MAPK1 (0.85) MAPK1ALDH1A1ALOX15ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3323841-B1 WHITE CARBON BLACK/POLY(ITACONATE-ISOPRENE-GLYCIDYL METHACRYLATE) BIO-BASED ELASTOMER COMPOSITE MATERIAL FREE OF SILANE COUPLING AGENT, AND PREPARATION METHOD THEREFOR UNIV BEIJING CHEM TECH (CN) 2020-04-22 EP claimed
US-20180258264-A1 Method of preparing bio-based elastomer composite comprising silica and poly dibutyl itaconate-ter-isoprene-ter-glycidyl methacrylate BEIJING UNIVERSITY OF CHEMICAL TECHNOLOGY (CN) 2018-09-13 US claimed
EP-3323841-A1 WHITE CARBON BLACK/POLY(ITACONATE-ISOPRENE-GLYCIDYL METHACRYLATE) BIO-BASED ELASTOMER COMPOSITE MATERIAL FREE OF SILANE COUPLING AGENT, AND PREPARATION METHOD THEREFOR Beijing University Of Chemical Technology (CN) 2018-05-23 EP claimed
CN-110618583-B Colored resin composition, color filter, and image display device 三菱化学株式会社 2024-02-23 CN disclosed
EP-3323841-B1 WHITE CARBON BLACK/POLY(ITACONATE-ISOPRENE-GLYCIDYL METHACRYLATE) BIO-BASED ELASTOMER COMPOSITE MATERIAL FREE OF SILANE COUPLING AGENT, AND PREPARATION METHOD THEREFOR UNIV BEIJING CHEM TECH (CN) 2020-04-22 EP disclosed
US-20180258264-A1 Method of preparing bio-based elastomer composite comprising silica and poly dibutyl itaconate-ter-isoprene-ter-glycidyl methacrylate BEIJING UNIVERSITY OF CHEMICAL TECHNOLOGY (CN) 2018-09-13 US disclosed
CN-106459729-B Thermally expandable microspheres, process for producing the same, and use thereof 松本油脂制药株式会社 2018-08-24 CN disclosed
EP-3323841-A1 WHITE CARBON BLACK/POLY(ITACONATE-ISOPRENE-GLYCIDYL METHACRYLATE) BIO-BASED ELASTOMER COMPOSITE MATERIAL FREE OF SILANE COUPLING AGENT, AND PREPARATION METHOD THEREFOR Beijing University Of Chemical Technology (CN) 2018-05-23 EP disclosed
CN-104669727-B Composite bed lamination and its manufacture method 松下知识产权经营株式会社 2017-12-05 CN disclosed
CN-106459729-A Thermally expandable microspheres, process for producing the same, and use thereof 松本油脂制药株式会社 2017-02-22 CN disclosed
CN-103429627-B Fluorine-containing copolymer 大金工业株式会社 2016-12-14 CN disclosed
CN-104137236-B Electronic device insulating layer and method for manufacturing electronic device insulating layer 住友化学株式会社 2016-08-24 CN disclosed
CN-101638463-A Preparation method for polymer polyatomic alcohol used for polyurethane soft high-resilience cold molding and application CHINA PETROCHEMICAL CORP 2010-02-03 CN disclosed