SCHEMBL2597657

SCHEMBL2597657

C=C(C)C(=O)OC(C)(N)OC(=O)C(=C)C

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 3/20 0.37
THRB P10828 1/20 0.34
HSD17B10 Q99714 1/20 0.31
GAA P10253 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
SCHEMBL1562829 0.85 ALDH1A1 (0.46) ALDH1A1TDP1TSHRTHRBHSD17B10
SCHEMBL1401750 0.85 ALDH1A1 (0.46) ALDH1A1TDP1TSHRTHRBHSD17B10
SCHEMBL9578354 0.81 ALDH1A1 (0.42) ALDH1A1TDP1TSHRTHRB
SCHEMBL10495124 0.81 ALDH1A1 (0.42) ALDH1A1TDP1TSHRTHRB
SCHEMBL8366488 0.81 ALDH1A1 (0.42) ALDH1A1TDP1TSHRTHRB
SCHEMBL1440496 0.79 TSHR (0.42) ALDH1A1TDP1TSHRTHRB
Hydrochloric Acid SCHEMBL4616806 0.79 ALDH1A1 (0.41) ALDH1A1TDP1TSHRTHRB
SCHEMBL28065930 0.79 ALDH1A1 (0.41) ALDH1A1TDP1TSHRTHRB
SCHEMBL6571060 0.79 ALDH1A1 (0.50) ALDH1A1TDP1TSHRTHRBHSD17B10
SCHEMBL33412 0.79 ALDH1A1 (0.50) ALDH1A1TDP1TSHRTHRBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571909-B1 POLYMERIZABLE IONIC LIQUID COMPRISING AROMATIC CARBOXYLATE ANION 3M INNOVATIVE PROPERTIES CO (US) 2016-10-05 EP disclosed
US-8552130-B2 Polymerizable ionic liquid comprising aromatic carboxylate anion 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-10-08 US disclosed
EP-2571909-A1 POLYMERIZABLE IONIC LIQUID COMPRISING AROMATIC CARBOXYLATE ANION 3M Innovative Properties Company (US) 2013-03-27 EP disclosed
US-20130059975-A1 POLYMERIZABLE IONIC LIQUID COMPRISING AROMATIC CARBOXYLATE ANION SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2013-03-07 US disclosed
WO-2011146356-A1 POLYMERIZABLE IONIC LIQUID COMPRISING AROMATIC CARBOXYLATE ANION 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-11-24 WO disclosed