SCHEMBL575652

SCHEMBL575652

CCc1c(C)cccc1Sc1cccc(C)c1CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
CYP1A2 P05177 5/20 0.36
CYP2A6 P11509 1/20 0.36
DHFR P00374 1/20 0.36
TSHR P16473 2/20 0.35
ACHE P22303 1/20 0.35
ALDH1A1 P00352 3/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
HTR7 P34969 1/20 0.34
HTR1A P08908 5/20 0.34
HTR3A P46098 5/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2D6 P10635 3/20 0.34
CYP2C9 P11712 3/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 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
SCHEMBL575601 0.88 NOS3 (0.36) NOS3NOS2CYP1A2CYP2A6DHFR
SCHEMBL16954043 0.86 MAPT (0.39) NOS3NOS2CYP1A2CYP2A6DHFR
SCHEMBL597056 0.82 CYP2A6 (0.45) NOS3NOS2CYP1A2CYP2A6TSHR
SCHEMBL6684451 0.79 GABRA1 (0.44) CYP1A2TSHRALDH1A1HTR1ACYP3A4
Phosphine SCHEMBL11706517 0.77 GABRA1 (0.43) CYP1A2TSHRALDH1A1HTR1ACYP3A4
SCHEMBL3098851 0.77 SLC6A4 (0.42) NOS3NOS2CYP1A2DHFRTSHR
SCHEMBL576403 0.77 KDM4E (0.38) CYP1A2TSHRALDH1A1CYP3A4CYP2D6
SCHEMBL659716 0.76 NOS3 (0.38) NOS3NOS2CYP1A2CYP2A6TSHR
SCHEMBL6297421 0.74 TAAR1 (0.33) CYP1A2CYP2A6ALDH1A1CA1CA2
SCHEMBL169506 0.73 GABRA1 (0.48) NOS3NOS2CYP1A2CYP2A6ALDH1A1

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 16 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
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-9608291-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2017-03-28 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-9093716-B2 Nonaqueous electrolyte for secondary battery and nonaqueous-electrolyte secondary battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2015-07-28 US disclosed
US-20150188192-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2015-07-02 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-2418723-A1 Nonaqueous electrolyte for secondary battery and nonaqueous-electrolyte secondary battery employing the same Mitsubishi Chemical Corporation (JP) 2012-02-15 EP disclosed
EP-2378602-A2 Nonaqueous electrolyte for recherable battery, and recharchable battery with nonaqueous electrolyte Mitsubishi Chemical Corporation (JP) 2011-10-19 EP disclosed
US-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed
EP-2012386-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2009-01-07 EP disclosed