SCHEMBL6423299

SCHEMBL6423299

C=CC(=O)OC(C)COCCO

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.47
ALDH1A1 P00352 5/20 0.38
TP53 P04637 3/20 0.38
HIF1A Q16665 3/20 0.38
HSD17B10 Q99714 1/20 0.38
HPGD P15428 1/20 0.35
CYP3A4 P08684 2/20 0.34
THRB P10828 1/20 0.33
MAPK1 P28482 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL6667894 0.97 TSHR (0.44) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL13449231 0.91 TSHR (0.48) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL3175239 0.89 TSHR (0.50) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL1599728 0.87 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL4070074 0.86 TDP1 (0.46) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL12358336 0.84 TSHR (0.43) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL6423789 0.83 TSHR (0.53) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL30544446 0.83 TSHR (0.63) TSHRALDH1A1TP53HIF1AHSD17B10
Tetraethylene Glycol SCHEMBL28862129 0.83 TSHR (0.36) TSHRALDH1A1TP53HIF1AHSD17B10
Di(Hydroxyethyl)Ether SCHEMBL2684287 0.81 TSHR (0.50) TSHRALDH1A1TP53HIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0823744-B1 Ionically conductive polymeric gel electrolyte and solid battery containing the same MITSUI CHEMICALS INC (JP) 2005-10-12 EP disclosed
US-6013393-A LITHIUM SULFONATE FOR BATTERIES RICOH COMPANY, LTD. (JP) 2000-01-11 US disclosed
US-5925283-A HIGH IONIC CONDUCTIVITY AND HIGH SOLID STRENGTH; CROSSLINKED POLYMER MATRIX, ELECTROLYTIC SALT, AND A NONAQUEOUS ELECTROLYTIC SOLUTION WHICH CONTAINS AT LEAST ONE HALOGEN-SUBSTITUTED CARBONIC ESTER MITSUI CHEMICALS, INC. (JP) 1999-07-20 US disclosed
EP-0823744-A2 Ionically conductive polymeric gel electrolyte and solid battery containing the same MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1998-02-11 EP disclosed