SCHEMBL3787597

SCHEMBL3787597

C=C(C)C(=O)OCCOC(=O)c1ccccc1C(=O)OCCC

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.72
TSHR P16473 9/20 0.58
TDP1 Q9NUW8 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
CYP3A4 P08684 3/20 0.57
MAPK1 P28482 2/20 0.57
TP53 P04637 1/20 0.57
LMNA P02545 2/20 0.55
THRB P10828 1/20 0.49
HSD17B10 Q99714 3/20 0.48
KDM4E B2RXH2 3/20 0.46
POLB P06746 1/20 0.46
MAOB P27338 1/20 0.45

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
SCHEMBL129437 0.94 TSHR (0.62) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL28996621 0.92 TSHR (0.61) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL16990763 0.89 ALDH1A1 (0.70) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL1398208 0.89 TSHR (0.57) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
Methacrylic Acid SCHEMBL28781342 0.89 TSHR (0.57) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL18409941 0.88 ALDH1A1 (0.55) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL27686816 0.88 ALDH1A1 (0.68) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL4783599 0.88 TSHR (0.56) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL36715 0.88 TSHR (0.56) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL12691694 0.88 TSHR (0.60) ALDH1A1TSHRTDP1L3MBTL1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2850489-A1 PARTICLES FOR ELECTROPHORETIC DISPLAYS Merck Patent GmbH (DE) 2015-03-25 EP disclosed
EP-2850116-A1 PARTICLES FOR ELECTROPHORETIC DISPLAYS Merck Patent GmbH (DE) 2015-03-25 EP disclosed
WO-2013170935-A1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2013-11-21 WO disclosed
WO-2013170933-A1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2013-11-21 WO disclosed
EP-2393851-A2 PARTICLES FOR ELECTROPHORETIC DISPLAYS Merck Patent GmbH (DE) 2011-12-14 EP disclosed
WO-2010089060-A2 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2010-08-12 WO disclosed