SCHEMBL779586

SCHEMBL779586

CCCCP(=O)(O)c1ccccc1-c1ccccc1F

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HIF1A Q16665 1/20 0.37
CETP P11597 4/20 0.37
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
GABBR2 O75899 1/20 0.35
GABRR1 P24046 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL779595 0.84 MAPT (0.38) HDAC3HDAC1HDAC2ALDH1A1MAPT
SCHEMBL8620220 0.79 TSHR (0.44) TSHRCETPALDH1A1MAPT
SCHEMBL5955429 0.76 TSHR (0.49) TSHRHIF1ACETPGABBR2GABRR1
SCHEMBL776970 0.75 MAPT (0.38) ALDH1A1MAPTL3MBTL1
SCHEMBL781242 0.75 MAPT (0.36) ALDH1A1MAPTL3MBTL1
SCHEMBL17223193 0.74 ALDH1A1 (0.51) TSHRALDH1A1MAPTL3MBTL1
SCHEMBL778465 0.74 TSHR (0.58) TSHRHDAC3HDAC1HDAC2CETP
SCHEMBL778346 0.74 TSHR (0.46) TSHRHDAC3HDAC1HDAC2HIF1A
SCHEMBL29019759 0.73 TSHR (0.47) TSHRHIF1ACETP
SCHEMBL779738 0.72 TSHR (0.45) TSHRHDAC3HDAC1HDAC2CETP

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