SCHEMBL4126418

SCHEMBL4126418

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA5A P35218 1/20 0.50
CA9 Q16790 1/20 0.50
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
PTPN1 P18031 3/20 0.41
HSD11B1 P28845 2/20 0.39
NR1H2 P55055 3/20 0.37
NR1H3 Q13133 5/20 0.36
GPR3 P46089 1/20 0.35
KCNN4 O15554 1/20 0.35
HTR6 P50406 1/20 0.35
KIF11 P52732 1/20 0.34
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34

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
SCHEMBL14104958 0.82 CA1 (0.47) CA1CA2CA5ACA9TSHR
SCHEMBL14068563 0.82 PTPN1 (0.49) CA1CA2CA5ACA9TSHR
SCHEMBL7645200 0.76 CA1 (0.50) CA1CA2CA5ACA9TSHR
SCHEMBL4124865 0.75 CA1 (0.67) CA1CA2CA5ACA9TSHR
SCHEMBL4133244 0.71 CA1 (0.50) CA1CA2CA5ACA9TSHR
SCHEMBL7645201 0.71 CA1 (0.50) CA1CA2CA5ACA9TSHR
SCHEMBL3957533 0.71 CA1 (0.50) CA1CA2CA5ACA9TSHR
Trifluoromethylbenzene SCHEMBL4616496 0.70 ALDH1A1 (0.74) CA1CA2CA5ACA9TSHR
SCHEMBL8138277 0.69 CA1 (0.46) CA1CA2CA5ACA9TSHR
SCHEMBL6512113 0.69 TSHR (0.55) CA1CA2CA5ACA9TSHR

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