Tert-Butanol

Tert-Butanol

SCHEMBL8666137

C=CC(C)=CC.CC(C)(C)O

nearest known ligand 0.37

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Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
ALOX15 P16050 1/20 0.31

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
SCHEMBL2036458 0.87
SCHEMBL132228 0.87
SCHEMBL135358 0.87
SCHEMBL9723888 0.83
SCHEMBL7127300 0.83
SCHEMBL7127302 0.83
Carbon Monoxide SCHEMBL7015415 0.75 ALDH1A1 (0.42) ALDH1A1TP53TSHR
SCHEMBL29035838 0.75 ALDH1A1 (0.37) ALDH1A1TP53TSHR
Bicarbonate SCHEMBL981102 0.75 ALDH1A1 (0.50) ALDH1A1TP53TSHR
SCHEMBL6338221 0.75 ALDH1A1 (0.37) ALDH1A1TP53TSHR

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
EP-0767804-B1 POLYMERIZATION PROCESS USING DIENE CONTAINING CATALYSTS DOW CHEMICAL CO (US) 1998-12-09 EP disclosed