SCHEMBL4127049

SCHEMBL4127049

O=P(O)(Oc1ccc(F)cc1-c1ccccc1F)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SRC P12931 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
ACKR3 P25106 1/20 0.32
PDE4D Q08499 2/20 0.32
DHODH Q02127 1/20 0.32
CREBBP Q92793 1/20 0.32
PIN1 Q13526 1/20 0.32
PPIA P62937 1/20 0.32
HPGD P15428 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32

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
SCHEMBL4131852 0.78 SLC6A9 (0.37) CHRM3NPC1RAB9ADHODHPPIA
SCHEMBL4138940 0.75 FAAH (0.41) SRC
SCHEMBL4120888 0.74 CCNT1 (0.39) CHRM3DHODHPPIACCNT1CDK9
SCHEMBL778321 0.72 MEN1 (0.48) NPC1RAB9ASRCHPGD
SCHEMBL4137884 0.72 PTGDR2 (0.47) CHRM3NPC1RAB9APTGDR2HPGD
SCHEMBL18632041 0.71 NPC1 (0.41) NPC1RAB9ASRCHPGD
SCHEMBL4133319 0.71 CETP (0.43) CHRM3PTGDR2CCNT1CDK9
SCHEMBL777536 0.71 DHODH (0.36) CHRM3NPC1RAB9AACKR3DHODH
SCHEMBL776689 0.71 PTGDR2 (0.51) SRCPTGDR2
SCHEMBL779048 0.70 TSHR (0.49) SRCHPGD

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 7 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-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