SCHEMBL4142301

SCHEMBL4142301

O=S(=O)(OCCC(F)(F)F)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.42
PARL Q9H300 1/20 0.41
ALDH1A1 P00352 6/20 0.39
TDP1 Q9NUW8 2/20 0.39
HSD17B10 Q99714 1/20 0.39
RORC P51449 3/20 0.38
NR1I2 O75469 1/20 0.37
RORA P35398 1/20 0.37
RORB Q92753 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
HTR6 P50406 1/20 0.37
PSIP1 O75475 1/20 0.36
NR1H3 Q13133 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
APOBEC3G Q9HC16 1/20 0.35
EPHX2 P34913 1/20 0.35
PGK1 P00558 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
SCHEMBL8906467 0.98 PTGS2 (0.41) PTGS2PARLALDH1A1TDP1HSD17B10
SCHEMBL31619589 0.89 PTGS2 (0.40) PTGS2PARLALDH1A1TDP1RORC
SCHEMBL7448934 0.83 PTGS2 (0.39) PTGS2PARLALDH1A1TDP1HSD17B10
SCHEMBL283201 0.82 CA12 (0.42) ALDH1A1KMT2ACA1CA2
SCHEMBL3449015 0.82 PARL (0.50) PARLALDH1A1TDP1HSD17B10HTR6
SCHEMBL2270234 0.81 CA1 (0.43) PTGS2PARLALDH1A1TDP1HSD17B10
SCHEMBL2057212 0.79 PARL (0.39) PTGS2PARLALDH1A1TDP1HSD17B10
SCHEMBL4344252 0.79 PARL (0.39) PTGS2PARLALDH1A1TDP1HSD17B10
SCHEMBL1845251 0.79 PARL (0.44) PTGS2PARLALDH1A1TDP1HSD17B10
SCHEMBL5945104 0.78 PARL (0.47) PARLALDH1A1TDP1HSD17B10HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6172294-A None JP disclosed
US-12100809-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2024-09-24 US disclosed
US-20220149436-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2022-05-12 US disclosed
US-11283107-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2022-03-22 US disclosed
EP-3621141-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2020-03-11 EP disclosed
US-20190229372-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2019-07-25 US 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
US-20150056503-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2015-02-26 US disclosed
EP-2012386-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2009-01-07 EP disclosed
JP-H06172294-A PREPARATION OF SUBSTITUTED BENZENE, BENZENESULFONIC ACID AND ITS DERIVATIVE, AND PREPARATION OF N,N'-SUBSTITUTED UREA CIBA GEIGY AG 1994-06-21 JP disclosed