Tert-Butanol

Tert-Butanol

SCHEMBL5520538

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

nearest known ligand 0.90

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.90
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 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
SCHEMBL2087163 0.95
SCHEMBL1040994 0.95
SCHEMBL35599 0.95
Propane SCHEMBL28856185 0.90 MAPK1 (0.90) MAPK1HSD17B10LMNATDP1TSHR
Propylene Glycol SCHEMBL28059743 0.87 MAPK1 (0.85) MAPK1HSD17B10LMNATDP1TSHR
Acetic Acid SCHEMBL3250234 0.85 MAPK1 (0.81) MAPK1HSD17B10LMNATDP1TSHR
SCHEMBL3159735 0.83 MAPK1 (0.77) MAPK1HSD17B10TDP1
SCHEMBL4176321 0.81
SCHEMBL78969 0.78 MAPK1 (0.70) MAPK1HSD17B10TDP1
SCHEMBL12336887 0.78 MAPK1 (0.68) MAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7226887-B2 Method for preparing metal cyanide catalysts using polymerizable complexing agents DOW GLOBAL TECHNOLOGIES INC. (US) 2007-06-05 US disclosed
US-20060058482-A1 Method for preparing metal cyanide catalysts using polymerizable complexing agents DOW GLOBAL TECHNOLOGIES LLC 2006-03-16 US disclosed