Tert-Butyl Hydroperoxide

Tert-Butyl Hydroperoxide

SCHEMBL8741122

CC(C)(C)OO.CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C.CC(C)c1ccc(OOOC(=O)c2ccccc2)cc1

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.37
MAPT P10636 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
LMNA P02545 2/20 0.34
F2 P00734 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HPGD P15428 1/20 0.34
XBP1 P17861 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
POLB P06746 1/20 0.33

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
Benzoyl Peroxide SCHEMBL8741129 0.90 TDP1 (0.54) TDP1ALDH1A1TSHRHSD17B10MRGPRX4
Tert-Butyl Hydroperoxide SCHEMBL28107173 0.78 TDP1 (0.60) TDP1ALDH1A1TSHRHSD17B10MAPT
Isopropylbenzene SCHEMBL10588839 0.77 TSHR (0.77) TDP1ALDH1A1TSHRHSD17B10MAPT
Benzoyl Peroxide SCHEMBL5897837 0.77 TDP1 (0.71) TDP1ALDH1A1TSHRHSD17B10MAPT
SCHEMBL2464406 0.75 TDP1 (0.74) TDP1ALDH1A1TSHRHSD17B10MAPT
Tert-Butyl Hydroperoxide SCHEMBL28098403 0.75 TDP1 (0.69) TDP1ALDH1A1TSHRHSD17B10MAPT
SCHEMBL5897840 0.74 TDP1 (0.62) TDP1ALDH1A1TSHRHSD17B10MAPT
Benzoyl Peroxide SCHEMBL2125048 0.71 LMNA (0.55) TDP1ALDH1A1TSHRHSD17B10MRGPRX4
SCHEMBL28080657 0.71 TDP1 (0.83) TDP1ALDH1A1TSHRHSD17B10MAPT
Tert-Butyl Hydroperoxide SCHEMBL22291174 0.71 TDP1 (0.89) TDP1ALDH1A1TSHRHSD17B10MAPT

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-0710255-A4 POLYMERS OF BROMINATED STYRENE GREAT LAKES CHEMICAL CORP (US) 1997-03-26 EP disclosed
EP-0710255-A1 POLYMERS OF BROMINATED STYRENE GREAT LAKES CHEMICAL CORPORATION (US) 1996-05-08 EP disclosed
WO-1995003341-A1 POLYMERS OF BROMINATED STYRENE GREAT LAKES CHEMICAL CORPORATION (US) 1995-02-02 WO disclosed