Tert-Butyl Hydroperoxide

Tert-Butyl Hydroperoxide

SCHEMBL28255759

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

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HCAR2 Q8TDS4 1/20 0.30
ATM Q13315 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
Tert-Butyl Hydroperoxide SCHEMBL27986868 0.97 TSHR (0.33) HPGDTSHRALDH1A1HCAR2ATM
SCHEMBL28007875 0.95 ALDH1A1 (0.34) HPGDTSHRALDH1A1HCAR2ATM
SCHEMBL131237 0.90 ALDH1A1 (0.38) HPGDTSHRALDH1A1HCAR2ATM
SCHEMBL28161237 0.85 ALDH1A1 (0.34) HPGDTSHRALDH1A1HCAR2ATM
SCHEMBL8593909 0.85 NAAA (0.37) TSHRALDH1A1HCAR2
SCHEMBL28161238 0.84 HCAR2 (0.35) HPGDTSHRALDH1A1HCAR2ATM
SCHEMBL1581663 0.83 NAAA (0.40) TSHRALDH1A1HCAR2
Isopropylbenzene SCHEMBL28254632 0.83 NPC1 (0.40) HPGD
Tert-Butyl Hydroperoxide SCHEMBL8588223 0.79 ALDH1A1 (0.41) TSHRALDH1A1ATM
SCHEMBL131236 0.78 ALDH1A1 (0.39) HPGDTSHRALDH1A1HCAR2ATM

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
CN-108795124-A A kind of photovoltaic polyolefin packaging adhesive film 乐凯胶片股份有限公司 2018-11-13 CN claimed