SCHEMBL983667

SCHEMBL983667

CC/C(OC(=O)O)=C(/C)OC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
FFAR3 O14843 2/20 0.38
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.32
SOAT1 P35610 1/20 0.31
LCK P06239 1/20 0.30
FYN P06241 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
SCHEMBL704833 0.83 FFAR3 (0.47) ALDH1A1TDP1FFAR3LMNAHSD17B10
SCHEMBL14775478 0.81 ALDH1A1 (0.40) ALDH1A1TDP1FFAR3LMNAHSD17B10
SCHEMBL6777827 0.80 TRPA1 (0.39) ALDH1A1TSHR
SCHEMBL127306 0.76 ALDH1A1 (0.44) ALDH1A1TDP1FFAR3LMNAHSD17B10
SCHEMBL14775227 0.76 ALDH1A1 (0.40) ALDH1A1TDP1FFAR3LMNAHSD17B10
SCHEMBL28211362 0.74 FFAR3 (0.38) ALDH1A1TDP1FFAR3SOAT1
SCHEMBL14775317 0.71
SCHEMBL712680 0.70 ALDH1A1 (0.50) ALDH1A1TDP1FFAR3HSD17B10TSHR
SCHEMBL14774926 0.70 ALDH1A1 (0.44) ALDH1A1TDP1FFAR3HSD17B10TSHR
Butane SCHEMBL10901195 0.67 FFAR3 (0.50) ALDH1A1TDP1FFAR3HSD17B10TSHR

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-1892789-B1 LITHIUM SECONDARY BATTERY MITSUBISHI CHEM CORP (JP) 2018-02-28 EP disclosed
US-20110212362-A1 NON-AQUEOUS ELECTROLYTE SECONDARY CELL SANYO ELECTRIC CO., LTD. (JP) 2011-09-01 US disclosed
US-20110014504-A1 LITHIUM SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2011-01-20 US disclosed
US-20100190064-A1 NONAQUEOUS ELECTROLYTE SECONDARY BATTERY SANYO ELECTRIC CO., LTD. (JP) 2010-07-29 US disclosed
US-20080311478-A1 Lithium Secondary Battery MITSUBISHI CHEMICAL CORPORATION (JP) 2008-12-18 US disclosed
EP-1892789-A1 LITHIUM SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2008-02-27 EP disclosed