SCHEMBL18631963

SCHEMBL18631963

O=S(=O)(O)Oc1ccc(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.42
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
HSPB1 P04792 3/20 0.40
CA5A P35218 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36

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
SCHEMBL17456607 0.98 EPAS1 (0.41) EPAS1CES2CES1HSPB1CA5A
SCHEMBL778294 0.83 EPAS1 (0.44) EPAS1CES2CES1HSPB1PTGS1
SCHEMBL4121195 0.81 CA1 (0.46) CA5AHPGDKMT2APTGS1PTGS2
SCHEMBL4127325 0.81 MRGPRX4 (0.41) CA5AMAPTL3MBTL1PTGS1PTGS2
SCHEMBL27962293 0.80 HSPB1 (0.39) EPAS1CES2CES1HSPB1MEN1
SCHEMBL3746820 0.80 PTGS2 (0.43) EPAS1HSPB1MEN1MAPTHPGD
SCHEMBL4880992 0.80 CA2 (0.48) EPAS1HSPB1ALDH1A1CA12CA1
SCHEMBL16070067 0.79 SLC22A6 (0.46) CES2CES1MAPTHPGDL3MBTL1
Lithium Ion SCHEMBL17456603 0.78 EPAS1 (0.44) EPAS1HSPB1PTGS1PTGS2
SCHEMBL15763949 0.78 HSPB1 (0.42) EPAS1CES2CES1HSPB1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3621141-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2020-03-11 EP disclosed
US-10333172-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2019-06-25 US disclosed
US-10290901-B2 2019-05-14 US disclosed
US-20170084955-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2017-03-23 US disclosed