SCHEMBL18697359

SCHEMBL18697359

O=C(F)Oc1ccc(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
TSHR P16473 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 2/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
FAAH O00519 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
HSPB1 P04792 3/20 0.42
PKM P14618 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL29462972 0.87 CES2 (0.48) CES2CES1TSHRL3MBTL1MAPK1
SCHEMBL10658758 0.87 CES2 (0.48) CES2CES1TSHRL3MBTL1MAPK1
SCHEMBL2914318 0.87 CES2 (0.48) CES2CES1TSHRL3MBTL1MAPK1
SCHEMBL14829704 0.85 CES2 (0.47) CES2CES1TSHRL3MBTL1MAPK1
SCHEMBL6172318 0.83 CES2 (0.45) CES2CES1TSHRL3MBTL1MAPK1
SCHEMBL823700 0.83 CYP4F2 (0.50) CES2CES1TSHRL3MBTL1MAPK1
SCHEMBL2830676 0.83 CES2 (0.45) CES2CES1TSHRL3MBTL1MAPK1
SCHEMBL15755542 0.82 TSHR (0.48) CES2CES1TSHRL3MBTL1MAPK1
SCHEMBL15763929 0.82 L3MBTL1 (0.48) CES2CES1TSHRL3MBTL1MAPK1
Hydrochloric Acid SCHEMBL17204990 0.82 CYP4F2 (0.49) CES2CES1TSHRL3MBTL1MAPK1

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-20170194664-A1 NONAQUEOUS ELECTROLYTE AND ELECTRICITY STORING DEVICE IN WHICH SAME IS USED MU IONIC SOLUTIONS CORPORATION (JP) 2017-07-06 US disclosed
US-20170194664-A1 NONAQUEOUS ELECTROLYTE AND ELECTRICITY STORING DEVICE IN WHICH SAME IS USED MU IONIC SOLUTIONS CORPORATION (JP) 2017-07-06 US disclosed
EP-3151326-A1 NONAQUEOUS ELECTROLYTE AND ELECTRICITY-STORING DEVICE IN WHICH SAME IS USED Ube Industries, Ltd. (JP) 2017-04-05 EP disclosed