SCHEMBL4139110

SCHEMBL4139110

CCc1c(C)cccc1OS(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
MTNR1B P49286 1/20 0.33
SGMS2 Q8NHU3 1/20 0.33
PTPN1 P18031 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
KDM4E B2RXH2 2/20 0.31
NCEH1 Q6PIU2 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
NOTUM Q6P988 2/20 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
SCHEMBL4135193 0.81 ALDH1A1 (0.36) TDP1MAPTKDM4EALDH1A1HPGD
SCHEMBL4136217 0.78 MAPT (0.47) TDP1MAPTALDH1A1
SCHEMBL29721153 0.77 TSHR (0.41) TDP1MAPTKDM4ENOTUMNPSR1
SCHEMBL497623 0.77 TSHR (0.41) TDP1MAPTKDM4ENOTUMNPSR1
SCHEMBL28382164 0.77 TSHR (0.39) TAS1R3TAS1R1TAS1R2SLC22A12NOS3
SCHEMBL4121075 0.75 MRGPRX4 (0.35) PTPN1MAPTALDH1A1
SCHEMBL48019 0.75 PTPN1 (0.41) TAS1R3TAS1R1TAS1R2SLC22A12MTNR1B
SCHEMBL778805 0.74 L3MBTL1 (0.47) MAPTGABRA1GABRB2KDM4EHPGD
SCHEMBL48020 0.74 SLC22A12 (0.40) TAS1R3TAS1R1TAS1R2SLC22A12MTNR1B
SCHEMBL6016708 0.74 PTPN1 (0.54) PTPN1TDP1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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