SCHEMBL779588

SCHEMBL779588

CCCCc1ccccc1P(=O)(O)c1ccccc1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
TSHR P16473 2/20 0.38
CETP P11597 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TYR P14679 1/20 0.36
HIF1A Q16665 1/20 0.35
MMP9 P14780 2/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
ADAM17 P78536 1/20 0.34
ADAM9 Q13443 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL20526220 0.91 LIPG (0.44) LIPGTSHRCETPCYP3A4CYP2D6
SCHEMBL779598 0.85 LMNA (0.37) ALDH1A1SMN1; SMN2
SCHEMBL20526215 0.84 LIPG (0.54) LIPGCETP
SCHEMBL20526230 0.84 LIPG (0.54) LIPGCETP
SCHEMBL7658666 0.84 LIPG (0.54) LIPGCETP
SCHEMBL10787133 0.81 HIF1A (0.45) LIPGTSHRCETPHIF1A
SCHEMBL342875 0.80 LIPG (0.44) LIPGTSHRCETPCYP3A4CYP2D6
SCHEMBL20526234 0.80 TSHR (0.39) LIPGTSHRCETPHIF1AALDH1A1
Fluoride SCHEMBL29262357 0.79 LIPG (0.43) LIPGTSHRCETPCYP3A4CYP2D6
SCHEMBL22345334 0.78 CYP3A4 (0.43) LIPGTSHRCETPCYP3A4CYP2D6

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