Tert-Butyl Hydroperoxide

Tert-Butyl Hydroperoxide

SCHEMBL3198636

CC(C)(C)O[O-].CC(C)(C)O[O-].CC(C)(C)O[O-].CC(C)(C)O[O-].CC(C)(C)O[O-].[V+5]

nearest known ligand 0.39

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Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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 SCHEMBL10352877 0.90 ALDH1A1 (0.39) ALDH1A1TSHRTDP1
Tert-Butyl Hydroperoxide SCHEMBL20163 0.90
Tert-Butyl Hydroperoxide SCHEMBL11312020 0.90
Tert-Butyl Hydroperoxide SCHEMBL3026366 0.90
Tert-Butyl Hydroperoxide SCHEMBL6896488 0.90 ALDH1A1 (0.39) ALDH1A1TSHRTDP1
Tert-Butyl Hydroperoxide SCHEMBL9562915 0.79 TDP1 (0.31) ALDH1A1TSHRTDP1
Tert-Butyl Hydroperoxide SCHEMBL9817088 0.76
Tert-Butyl Hydroperoxide SCHEMBL9310973 0.71
SCHEMBL6456965 0.60 TSHR (0.30) TSHR
SCHEMBL1697134 0.57 ALDH1A1 (0.36) ALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041905-A1 Process for the Preparation of Substituted 2-Acetylamino-Alkoxyphenyl ASTRAZENECA AB (SE) 2010-02-18 US disclosed
CN-101516863-A Process for preparing substituted 2-acetylamino-alkoxybenzenes ASTRAZENECA AB (SE) 2009-08-26 CN disclosed
EP-2044045-A2 A PROCESS FOR THE PREPARATION OF SUBSTITUTED 2-ACETYLAMINO-ALKOXYPHENYL AstraZeneca AB (SE) 2009-04-08 EP disclosed
WO-2008010764-A2 A PROCESS FOR THE PREPARATION OF SUBSTITUTED 2-ACETYLAMINO-ALKOXYPHENYL ASTRAZENECA AB (SE) 2008-01-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100041905-A1 Process for the Preparation of Substituted 2-Acetylamino-Alkoxyphenyl F12, RPS4Y1, CCNA1 ALDH1A1 126/4885TSHR 862/4885TDP1 3188/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.