SCHEMBL779734

SCHEMBL779734

O=P(O)(O)c1cccc(Cc2ccccc2F)c1F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.38
PTPN5 P54829 3/20 0.37
PTPN1 P18031 1/20 0.37
NPC1 O15118 2/20 0.37
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTK2B Q14289 1/20 0.37
DAO P14920 1/20 0.36
TAAR1 Q96RJ0 2/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
CES2 O00748 1/20 0.35
BCHE P06276 1/20 0.35
CES1 P23141 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
SCHEMBL30210989 0.78 CES2 (0.45) NPC1POLBPTK2BALDH1A1RAB9A
SCHEMBL28880214 0.78 CES2 (0.45) NPC1POLBPTK2BALDH1A1RAB9A
SCHEMBL776822 0.75 DAO (0.36) PTPN5NPC1POLBPTK2BDAO
SCHEMBL3889145 0.73 CA2 (0.44) PTPN1NPC1POLBPTK2BALDH1A1
SCHEMBL3301625 0.73 TAAR1 (0.59) ARL3MBTL1DAOTAAR1ALDH1A1
SCHEMBL3403564 0.72 PTK2B (0.42) PTPN1NPC1POLBPTK2BALDH1A1
SCHEMBL779553 0.69 PGK1 (0.36) PTPN5PTPN1L3MBTL1
SCHEMBL778616 0.69 ACP3 (0.39)
SCHEMBL3300692 0.69 MPO (0.47) TAAR1CES2BCHECES1
SCHEMBL4287643 0.69 ACP3 (0.55) TAAR1ALDH1A1

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 6 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
US-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed