SCHEMBL4127077

SCHEMBL4127077

O=S(OC(c1ccccc1)(C(F)(F)F)C(F)(F)F)OC(c1ccccc1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
PTPN1 P18031 3/20 0.38
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
CYP1A2 P05177 1/20 0.34
RORC P51449 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
EPHX2 P34913 1/20 0.32
MAPK1 P28482 1/20 0.32
KCNN4 O15554 2/20 0.31
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
KIF11 P52732 1/20 0.31

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
SCHEMBL4125946 0.78 TSHR (0.44) TSHRALDH1A1PTPN1CA1CA2
SCHEMBL6512553 0.75 TSHR (0.50) TSHRALDH1A1PTPN1NR1H2NR1H3
SCHEMBL11546152 0.71 TSHR (0.58) TSHRALDH1A1PTPN1NR1H2NR1H3
SCHEMBL16586837 0.71 TSHR (0.46) TSHRALDH1A1PTPN1NR1H2NR1H3
SCHEMBL10890440 0.71 NR1H2 (0.54) TSHRALDH1A1PTPN1NR1H2NR1H3
SCHEMBL3988445 0.71 CA2 (0.45) TSHRALDH1A1PTPN1NR1H2NR1H3
Lithium Ion SCHEMBL930658 0.70 TSHR (0.44) TSHRALDH1A1PTPN1NR1H2NR1H3
SCHEMBL1483475 0.70 TSHR (0.44) TSHRALDH1A1PTPN1NR1H2NR1H3
SCHEMBL775934 0.70 MAPK1 (0.56) TSHRALDH1A1CYP1A2MAPTMAPK1
SCHEMBL4127202 0.69 CA1 (0.44) TSHRALDH1A1PTPN1NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220149436-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2022-05-12 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