SCHEMBL780805

SCHEMBL780805

O=P(O)(O)c1ccc(-c2ccccc2)c(-c2ccccc2)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA5A P35218 1/20 0.36
PTPN5 P54829 2/20 0.36
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
CDC14B O60729 1/20 0.34
CDC14A Q9UNH5 1/20 0.34
PTGS1 P23219 3/20 0.33
MEN1 O00255 2/20 0.33
PTGS2 P35354 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33

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
SCHEMBL3360427 0.81 KDM4E (0.40) KDM4EPOLBCA2CA4CA5A
SCHEMBL28178821 0.79 POLB (0.39) KDM4EPOLBCA2CA4CA5A
SCHEMBL512718 0.79 POLB (0.36) KDM4EPOLBCA2CA4CA5A
SCHEMBL29068817 0.77 POLB (0.40) KDM4EPOLBCA2CA4CA5A
Phosphoric Acid SCHEMBL27982532 0.77 HDAC4 (0.45) CA2CA4CA5APTPN5HDAC4
SCHEMBL874792 0.77 HNF4A (0.43) KDM4EPOLBCA2CA4CA5A
SCHEMBL30341028 0.77 HNF4A (0.43) KDM4EPOLBCA2CA4CA5A
SCHEMBL779654 0.75 MAPT (0.34) KDM4ECA2CA4CA5AMEN1
SCHEMBL28901480 0.72 BACE1 (0.48) HDAC4HDAC2HDAC8HDAC6PTGS1
SCHEMBL4827374 0.71 PTGS2 (0.50) PTGS1PTGS2HTTLMNAMAPT

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 5 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-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 US disclosed