SCHEMBL778419

SCHEMBL778419

CCCCP(=O)(O)C=Cc1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NFE2L2 Q16236 6/20 0.43
TSHR P16473 1/20 0.40
NPC1 O15118 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KCNA3 P22001 1/20 0.39
ALOX12 P18054 1/20 0.39
TRPA1 O75762 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL781471 0.84 NFE2L2 (0.48) RAB9AL3MBTL1NFE2L2NPC1MAPT
SCHEMBL2321257 0.78 TSHR (0.44) L3MBTL1TSHRNPC1HDAC3TDP1
SCHEMBL2321252 0.78 TSHR (0.44) L3MBTL1TSHRNPC1HDAC3TDP1
SCHEMBL779745 0.76 NFE2L2 (0.54) RAB9ANFE2L2NPC1MAPTSMN1; SMN2
SCHEMBL778166 0.76 NFE2L2 (0.46) RAB9ANFE2L2NPC1MAPTSMN1; SMN2
SCHEMBL31590259 0.74 CETP (0.49) TSHRHDAC3TDP1
SCHEMBL31590330 0.73 CETP (0.51) HDAC3TDP1
SCHEMBL31590695 0.73 CETP (0.51) HDAC3TDP1
SCHEMBL31590635 0.73 CETP (0.51) HDAC3TDP1
SCHEMBL779472 0.70 NFE2L2 (0.50) NFE2L2TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9608291-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2017-03-28 US disclosed
US-9343777-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-05-17 US disclosed
US-9252457-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 US disclosed
US-20150188192-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2015-07-02 US disclosed
US-20150056503-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2015-02-26 US disclosed
US-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 US disclosed
US-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed