SCHEMBL10179795

SCHEMBL10179795

O=C(O)O/C(F)=C(/OC(=O)O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.41
LMNA P02545 1/20 0.41
CES1 P23141 7/20 0.41
CES2 O00748 5/20 0.41
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.41
DAO P14920 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
TDP1 Q9NUW8 4/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
HSD17B10 Q99714 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA9 Q16790 2/20 0.38
POLB P06746 1/20 0.38
PARP1 P09874 1/20 0.38

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
SCHEMBL703632 0.84 CES1 (0.50) F2LMNACES1CES2TSHR
SCHEMBL981800 0.75 CES2 (0.45) F2LMNACES1CES2TSHR
SCHEMBL7128877 0.72 CES1 (0.47) F2LMNACES1CES2TSHR
SCHEMBL4260982 0.70 LMNA (0.64) F2LMNACES1CES2TSHR
Benzophenone SCHEMBL28761673 0.70 ALDH1A1 (0.74) F2LMNACES1CES2TSHR
Benzophenone SCHEMBL9458360 0.70 ALDH1A1 (0.74) F2LMNACES1CES2TSHR
SCHEMBL9255093 0.70 F2 (0.39) F2LMNACES1CES2TSHR
SCHEMBL18050252 0.69 LMNA (0.61) F2LMNACES1CES2TSHR
SCHEMBL18050253 0.69 LMNA (0.61) F2LMNACES1CES2TSHR
SCHEMBL18069318 0.69 LMNA (0.61) F2LMNACES1CES2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130244122-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME ONUKI MASAMICHI (JP) 2013-09-19 US disclosed
US-20120219866-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
EP-2475041-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE BATTERY COMPRISING SAME Mitsubishi Chemical Corporation (JP) 2012-07-11 EP disclosed