SCHEMBL7148379

SCHEMBL7148379

NC(N)(O)C(CC(=O)O)(CC(=O)O)C(O)(CC(=O)O)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
HMGCR P04035 1/20 0.40
CHRM1 P11229 1/20 0.40
TBXA2R P21731 1/20 0.40
ADRA1A P35348 1/20 0.40
CPT2 P23786 2/20 0.34
KDM4E B2RXH2 1/20 0.34
FFAR1 O14842 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ACLY P53396 3/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
GLRA1 P23415 1/20 0.30
SLC6A9 P48067 1/20 0.30
OR51E2 Q9H255 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
SCHEMBL9771878 0.83 ALDH1A1 (0.39) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL528207 0.74 ALDH1A1 (0.56) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL27342657 0.72 ALDH1A1 (0.53) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL9771853 0.70 ALDH1A1 (0.40) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL29539878 0.69
SCHEMBL11898737 0.69
SCHEMBL9390835 0.67 ALDH1A1 (0.48) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL1318202 0.67 ALDH1A1 (0.36) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL16374685 0.66 ALDH1A1 (0.45) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL10589741 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6562514-B1 Stabilized vanadium electrolyte solutions for all-vanadium redox cells and batteries PINNACLE VRB LIMITED (AU) 2003-05-13 US disclosed
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
US-6143443-A ALL-VANADIUM REDOX BATTERY, COMPRISING THE STABILIZED ELECTROLYTE PINNACLE ARB LIMITED (AU) 2000-11-07 US disclosed
EP-0829104-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) 1998-03-18 EP disclosed
EP-0729648-A4 STABILISED ELECTROLYTE SOLUTIONS, METHODS OF PREPARATION THEREOF AND REDOX CELLS AND BATTERIES CONTAINING STABILISED ELECTROLYTE SOLUTIONS UNISEARCH LTD (AU) 1997-01-02 EP 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
EP-0729648-A1 STABILISED ELECTROLYTE SOLUTIONS, METHODS OF PREPARATION THEREOF AND REDOX CELLS AND BATTERIES CONTAINING STABILISED ELECTROLYTE SOLUTIONS UNISEARCH LIMITED (AU) 1996-09-04 EP disclosed
WO-1995012219-A1 STABILISED ELECTROLYTE SOLUTIONS, METHODS OF PREPARATION THEREOF AND REDOX CELLS AND BATTERIES CONTAINING STABILISED ELECTROLYTE SOLUTIONS UNISEARCH LIMITED (AU) 1995-05-04 WO disclosed
US-4362791-A CONTAINING A COMPLEXING OR CHELATING AGENT AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JP) 1982-12-07 US disclosed