SCHEMBL2597547

SCHEMBL2597547

C=C(C)C(=O)OCCOC(=O)c1ccccc1-c1ccccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.47
SCN1A P35498 2/20 0.46
SCN2A Q99250 2/20 0.46
SCN3A Q9NY46 2/20 0.46
MAPK1 P28482 4/20 0.46
ALDH1A1 P00352 6/20 0.45
TDP1 Q9NUW8 4/20 0.44
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
CYP3A4 P08684 3/20 0.42
TP53 P04637 2/20 0.42
THRB P10828 1/20 0.41
HSD17B10 Q99714 3/20 0.41
NPC1 O15118 2/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL15713250 0.94 TSHR (0.53) TSHRSCN1ASCN2ASCN3AMAPK1
SCHEMBL29366686 0.90 TSHR (0.56) TSHRMAPK1ALDH1A1TDP1POLB
SCHEMBL36715 0.90 TSHR (0.56) TSHRMAPK1ALDH1A1TDP1POLB
SCHEMBL4783599 0.90 TSHR (0.56) TSHRMAPK1ALDH1A1TDP1POLB
SCHEMBL12181907 0.89 TSHR (0.51) TSHRSCN1ASCN2ASCN3AMAPK1
SCHEMBL6285566 0.89 SCN1A (0.59) TSHRSCN1ASCN2ASCN3AMAPK1
SCHEMBL2859734 0.88 TSHR (0.54) TSHRMAPK1ALDH1A1TDP1POLB
SCHEMBL28190689 0.88 TSHR (0.54) TSHRMAPK1ALDH1A1TDP1POLB
Methacrylic Acid SCHEMBL14800721 0.87 TSHR (0.53) TSHRMAPK1ALDH1A1TDP1POLB
Phthalic Acid SCHEMBL4599263 0.86 TDP1 (0.51) TSHRALDH1A1TDP1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9709952-B2 Photosensitive composition for volume hologram recording, photosensitive substrate for volume hologram recording, and volume hologram recorded medium DAI NIPPON PRINTING CO., LTD. (JP) 2017-07-18 US disclosed
EP-2889700-B1 PHOTOSENSITIVE COMPOSITION FOR VOLUME HOLOGRAM RECORDING, PHOTOSENSITIVE SUBSTRATE FOR VOLUME HOLOGRAM RECORDING, AND VOLUME HOLOGRAM-RECORDED OBJECT DAINIPPON PRINTING CO LTD (JP) 2017-01-25 EP disclosed
EP-2571909-B1 POLYMERIZABLE IONIC LIQUID COMPRISING AROMATIC CARBOXYLATE ANION 3M INNOVATIVE PROPERTIES CO (US) 2016-10-05 EP disclosed
EP-2571909-B1 POLYMERIZABLE IONIC LIQUID COMPRISING AROMATIC CARBOXYLATE ANION 3M INNOVATIVE PROPERTIES CO (US) 2016-10-05 EP disclosed
US-20150212487-A1 PHOTOSENSITIVE COMPOSITION FOR VOLUME HOLOGRAM RECORDING, PHOTOSENSITIVE SUBSTRATE FOR VOLUME HOLOGRAM RECORDING, AND VOLUME HOLOGRAM RECORDED MEDIUM DAI NIPPON PRINTING CO., LTD. 2015-07-30 US disclosed
EP-2889700-A1 PHOTOSENSITIVE COMPOSITION FOR VOLUME HOLOGRAM RECORDING, PHOTOSENSITIVE SUBSTRATE FOR VOLUME HOLOGRAM RECORDING, AND VOLUME HOLOGRAM-RECORDED OBJECT Dai Nippon Printing Co., Ltd. (JP) 2015-07-01 EP disclosed
US-8552130-B2 Polymerizable ionic liquid comprising aromatic carboxylate anion 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-10-08 US 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
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