SCHEMBL7645453

SCHEMBL7645453

CCO[C@H]1O[C@H](C(O)Cc2ccccc2)[C@](O)(Cc2ccccc2)[C@@](O)(Cc2ccccc2)[C@H]1O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.32
IDO1 P14902 1/20 0.32
HTT P42858 1/20 0.31
NR1I2 O75469 1/20 0.30
PGR P06401 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL7565489 0.82 PPARG (0.33) HTT
SCHEMBL6636222 0.82 HDAC8 (0.32)
SCHEMBL6637475 0.81 GRIN2D (0.32) TRPA1HTT
SCHEMBL3163944 0.79 GRIN2D (0.33) TRPA1HTTOPRK1
SCHEMBL3155159 0.79 GRIN2D (0.33) TRPA1HTTOPRK1
SCHEMBL3145397 0.79 GRIN2D (0.33) TRPA1HTTOPRK1
SCHEMBL3136547 0.79 GRIN2D (0.33) TRPA1HTTOPRK1
SCHEMBL31016265 0.79 GRIN2D (0.33) TRPA1HTTOPRK1
SCHEMBL7569063 0.78 PPARG (0.35)
SCHEMBL28022067 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6468688-B2 CHARGING, DISCHARGING EFFICIENCY; VANADIUM ELECTROLYTE PINNACLE VRB LIMITED (AU) 2002-10-22 US disclosed
US-20010028977-A1 Charging, discharging efficiency; vanadium electrolyte JD HOLDING INC. (KY) 2001-10-11 US disclosed
WO-1996035239-A1 HIGH ENERGY DENSITY VANADIUM ELECTROLYTE SOLUTIONS, METHODS OF PREPARATION THEREOF AND ALL-VANADIUM REDOX CELLS AND BATTERIES CONTAINING HIGH ENERGY VANADIUM ELECTROLYTE SOLUTIONS UNISEARCH LIMITED (AU) 1996-11-07 WO disclosed