Tert-Butanol

Tert-Butanol

SCHEMBL6429201

C#CCCO.CC(C)(C)O

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL10306549 0.84
SCHEMBL39751 0.84
Lithium SCHEMBL30565132 0.81
SCHEMBL11068395 0.78
SCHEMBL10961219 0.74
SCHEMBL10960092 0.73
SCHEMBL7684965 0.72 CA2 (0.34) ALDH1A1
SCHEMBL4646418 0.71
Tert-Butanol SCHEMBL7011387 0.69
Trifluoroacetic Acid SCHEMBL31570038 0.69 CYP1A2 (0.37) ALDH1A1

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-20050043171-A1 Method for preparing metal cyanide catalysts using zero valent metals DOW GLOBAL TECHNOLOGIES INC. 2005-02-24 US disclosed