Tert-Butanol

Tert-Butanol

SCHEMBL994481

CC(C)(C)O.CC(C)(C)O.[KH]

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
THRB P10828 1/20 0.42
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.33
CYP2C19 P33261 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
Tert-Butanol SCHEMBL17409545 1.00
Tert-Butanol SCHEMBL8915084 1.00 ALDH1A1 (0.42) ALDH1A1THRBTSHRLMNACYP2C19
Tert-Butanol SCHEMBL183182 1.00
Tert-Butanol SCHEMBL6222911 1.00
Tert-Butanol SCHEMBL3908572 1.00 ALDH1A1 (0.42) ALDH1A1THRBTSHRLMNACYP2C19
Tert-Butanol SCHEMBL28133384 0.94
Tert-Butanol SCHEMBL9785230 0.94
Tert-Butanol SCHEMBL28208487 0.94
Tert-Butanol SCHEMBL10611838 0.94
Tert-Butanol SCHEMBL27292163 0.94

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426583-B1 Processes for preparing certain hexaazaisowurtzitanes and their use in preparing hexanitrohexaazaisowurtzitane UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY 2013-04-23 US disclosed
US-8426582-B1 Processes for preparing certain hexaazaisowurtzitanes and their use in preparing hexanitrohexaazaisowurtzitane THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2013-04-23 US disclosed
US-8268993-B1 Processes for preparing certain hexaazaisowurtzitanes and their use in preparing hexanitrohexaazaisowurtzitane THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2012-09-18 US disclosed
US-8268991-B1 Processes for preparing certain hexaazaisowurtzitanes and their use in preparing hexanitrohexaazaisowurtzitane THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2012-09-18 US disclosed
US-7875714-B1 heavy-metal-free sequence leading to a superior, more economical, and scalable process for the high efficiency conversion of hexaallylhexaazaisowurtzitane (HAllylIW) to hexanitrohexaazaisowurtzitane (CL-20); does not require benzylamine starting material; environmentally friendly THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2011-01-25 US disclosed
EP-0511477-B1 Indole derivatives KYOWA HAKKO KOGYO KK (JP) 1996-07-10 EP disclosed
US-5049669-A Also diuretics RHONE-POULENC SANTE (FR) 1991-09-17 US disclosed
US-5008390-A Compounds for preparing 6-phenyl-2,3-dihydroimidazo[2,1-b]-thiazoles and corresponding thiazines SMITHKLINE BECKMAN CORPORATION (US) 1991-04-16 US disclosed
US-4985419-A Analgesics, Diuretics RHONE-POULENC SANTE (FR) 1991-01-15 US disclosed
US-4803279-A 1.4-dihydro-4-pyridyl-substituted imidazo (2,1-b) thiazoles and the corresponding thiazines. SMITHKLINE BECKMAN CORPORATION (US) 1989-02-07 US disclosed
EP-0203787-A2 Process for preparing pyridyl-substituted imidazo[2,1-b]thiazoles and thiazines SMITHKLINE BEECHAM CORPORATION (US) 1986-12-03 EP disclosed