SCHEMBL2597658

SCHEMBL2597658

C=C(C)C(=O)OC(CN)OC(=O)C(=C)C

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.42
THRB P10828 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL27298741 0.86 THRB (0.39) TSHRALDH1A1THRBTDP1
SCHEMBL28111567 0.85 TSHR (0.36) TSHRALDH1A1THRB
SCHEMBL7528585 0.82 TSHR (0.43) TSHRALDH1A1THRBTDP1
SCHEMBL11942796 0.81 TSHR (0.46) TSHRALDH1A1THRBTDP1
SCHEMBL6533659 0.80 TSHR (0.42) TSHRALDH1A1THRBTDP1
SCHEMBL18288496 0.80 TSHR (0.47) TSHRALDH1A1THRBTDP1
SCHEMBL23406597 0.79 TSHR (0.45) TSHRALDH1A1THRBTDP1
SCHEMBL601418 0.79 TSHR (0.45) TSHRALDH1A1THRBTDP1
SCHEMBL7116678 0.79 TSHR (0.45) TSHRALDH1A1THRBTDP1
SCHEMBL28909096 0.78 TSHR (0.41) TSHRALDH1A1THRBTDP1

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