SCHEMBL46043

SCHEMBL46043

CC(=O)CC(C)(C)n1ccnc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 9/20 0.54
ALDH1A1 P00352 1/20 0.36
CYP17A1 P05093 1/20 0.35
CYP19A1 P11511 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
EGLN3 Q9H6Z9 1/20 0.34
CYP3A4 P08684 1/20 0.34
BAZ2B Q9UIF8 1/20 0.34

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
Acetic Acid SCHEMBL28843275 0.79 TBXAS1 (0.55) TBXAS1ALDH1A1CYP11B1CYP11B2EGLN3
SCHEMBL4123167 0.78 TBXAS1 (0.48) TBXAS1ALDH1A1SMN1; SMN2
Bicarbonate SCHEMBL29201379 0.78 TBXAS1 (0.58) TBXAS1ALDH1A1CYP17A1CYP19A1CYP11B1
SCHEMBL12928729 0.76 TBXAS1 (0.51) TBXAS1ALDH1A1CYP17A1CYP19A1CYP11B1
SCHEMBL26660791 0.76 TBXAS1 (0.51) TBXAS1ALDH1A1CYP17A1CYP19A1CYP11B1
SCHEMBL23182611 0.76 SMN1; SMN2 (0.40) ALDH1A1POLBSMN1; SMN2
SCHEMBL21392728 0.76 TBXAS1 (0.50) TBXAS1CYP17A1CYP19A1SMN1; SMN2CYP11B1
SCHEMBL11266178 0.75 TBXAS1 (0.77) TBXAS1ALDH1A1EGLN3
Acetic Acid SCHEMBL8525552 0.75 TBXAS1 (0.50) TBXAS1ALDH1A1CYP17A1CYP19A1CYP11B1
SCHEMBL4338960 0.74 TBXAS1 (0.49) TBXAS1CYP17A1CYP19A1SMN1; SMN2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571908-B1 POLYMERIZABLE IONIC LIQUID COMPOSITIONS 3M INNOVATIVE PROPERTIES CO (US) 2017-04-26 EP disclosed
US-8383721-B2 Polymerizable ionic liquid compositions 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-02-26 US disclosed
US-8383721-B2 Polymerizable ionic liquid compositions 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-02-26 US disclosed
WO-2011146326-A1 POLYMERIZABLE IONIC LIQUID COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-11-24 WO disclosed
US-20110288227-A1 POLYMERIZABLE IONIC LIQUID COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY 2011-11-24 US disclosed
US-20110288227-A1 POLYMERIZABLE IONIC LIQUID COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY 2011-11-24 US disclosed
CN-101012199-B Method for synthesizing imidazole butanol YANCHENG LVYE CHEMICAL CO LTD 2010-06-09 CN disclosed
CN-101012199-A Synthesis method of imidazole butanol YANCHENG LVYE CHEMICAL CO LTD (CN) 2007-08-08 CN disclosed