Tert-Butanol

Tert-Butanol

SCHEMBL7589852

CC(C)(C)O.CCN(CC)CC.N

nearest known ligand 0.33

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
APEX1 P27695 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
KMT2A Q03164 1/20 0.31
MCL1 Q07820 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 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 SCHEMBL9504370 0.96 ALDH1A1 (0.35) ALDH1A1CYP2C9HPGDHSD17B10KDM4E
Amylene Hydrate SCHEMBL28084721 0.83 ALDH1A1 (0.39) ALDH1A1TDP1
Tert-Butanol SCHEMBL28249327 0.82 FFAR3 (0.39) ALDH1A1HPGDKDM4EMEN1POLB
Ammonia Solution, Strong SCHEMBL459043 0.80
Ammonia Solution, Strong SCHEMBL28460951 0.80 ALDH1A1 (0.36) ALDH1A1CYP2C9HPGDHSD17B10KDM4E
Ammonia Solution, Strong SCHEMBL3139103 0.80
SCHEMBL27320079 0.80 ALDH1A1 (0.62) ALDH1A1SIGMAR1
Tert-Butanol SCHEMBL28539662 0.80 FFAR3 (0.37) ALDH1A1HPGDKDM4EMEN1POLB
SCHEMBL4462973 0.78 ALDH1A1 (0.35) ALDH1A1
Chloromethane SCHEMBL375766 0.77 CYP2C9 (0.35) ALDH1A1CYP2C9HPGDHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0996688-B1 AQUEOUS COATING COMPOSITION OF A SELF-STABILIZED CROSSLINKED LATEX DU PONT (US) 2002-10-16 EP disclosed
EP-0996688-A1 AQUEOUS COATING COMPOSITION OF A SELF-STABILIZED CROSSLINKED LATEX E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-03 EP disclosed
US-5955532-A ALKYLATED MELAMINE CROSSLINKED ADDITION POLYMERIZED GRAFT COPOLYMER USED AS PROTECTIVE COATING FOR AUTOMOBILES; WATERPROOFING, CORROSION RSEISTANCE AND GOOD FINISH E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-09-21 US disclosed
WO-1999003937-A1 AQUEOUS COATING COMPOSITION OF A SELF-STABILIZED CROSSLINKED LATEX E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-01-28 WO disclosed