Tert-Butanol

Tert-Butanol

SCHEMBL9765186

CC(C)(C)O.COC(C)OC

nearest known ligand 0.33

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CYP2C19 P33261 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
SCHEMBL8977760 0.84 ALDH1A1 (0.32) ALDH1A1
Methyl Alcohol SCHEMBL3869122 0.81
Chloromethane SCHEMBL28843809 0.81
SCHEMBL5306546 0.80 LMNA (0.31)
SCHEMBL1153 0.80
SCHEMBL11615697 0.80
SCHEMBL11087804 0.80
SCHEMBL2059000 0.79 ALDH1A1 (0.57) ALDH1A1
Hydrogen Sulfide SCHEMBL20377930 0.76
SCHEMBL3473432 0.76

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
US-5004809-A Nitroxide labeled nucleotides and nitroxide labeled hybridization probes UNIVERSITY OF CINCINNATI (US) 1991-04-02 US disclosed