SCHEMBL2216645

SCHEMBL2216645

FCCC1CCCCC1.FCCC1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.50
CYP1A2 P05177 1/20 0.48
HPGD P15428 1/20 0.41
METAP1 P53582 1/20 0.40
EPHX1 P07099 1/20 0.39
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
CHRM5 P08912 2/20 0.36
ADRA2C P18825 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CYP2D6 P10635 1/20 0.35
DAO P14920 1/20 0.35

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
SCHEMBL1030893 1.00
SCHEMBL7733247 1.00 SIGMAR1 (0.50) SIGMAR1CYP1A2HPGDMETAP1EPHX1
SCHEMBL7733178 1.00 SIGMAR1 (0.50) SIGMAR1CYP1A2HPGDMETAP1EPHX1
SCHEMBL7733057 1.00 SIGMAR1 (0.50) SIGMAR1CYP1A2HPGDMETAP1EPHX1
SCHEMBL7739380 1.00 SIGMAR1 (0.50) SIGMAR1CYP1A2HPGDMETAP1EPHX1
SCHEMBL23395277 1.00 SIGMAR1 (0.50) SIGMAR1CYP1A2HPGDMETAP1EPHX1
SCHEMBL6114609 0.97
SCHEMBL13575940 0.90
SCHEMBL8935966 0.83
SCHEMBL22700174 0.82 SIGMAR1 (0.58) SIGMAR1CYP1A2HPGDEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2352157-A1 NON-AQUEOUS SOLVENT AND NON-AQUEOUS ELECTROLYTIC SOLUTION FOR ENERGY STORAGE DEVICE, AND ENERGY STORAGE DEVICE, LITHIUM SECONDARY BATTERY AND ELECTRIC DOUBLE-LAYER CAPACITOR EACH COMPRISING THE NON-AQUEOUS SOLVENT OR THE NON-AQUEOUS ELECTROLYTIC SOLUTION Panasonic Corporation (JP) 2011-08-03 EP disclosed
US-20110171540-A1 NON-AQUEOUS SOLVENT AND NON-AQUEOUS ELECTROLYTIC SOLUTION FOR ENERGY STORAGE DEVICE, AND ENERGY STORAGE DEVICE, LITHIUM SECONDARY BATTERY AND ELECTRIC DOUBLE-LAYER CAPACITOR EACH COMPRISING THE NON-AQUEOUS SOLVENT OR THE NON-AQUEOUS ELECTROLYTIC SOLUTION PANASONIC CORPORATION (JP) 2011-07-14 US disclosed