SCHEMBL7154161

SCHEMBL7154161

C=C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.66
ABCB1 P08183 1/20 0.43
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
USP2 O75604 2/20 0.35
CYP3A4 P08684 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.31

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
SCHEMBL29280147 0.89 TDP1 (0.60) TDP1ABCB1POLBMAPK1USP2
SCHEMBL60323 0.85 TDP1 (0.68) TDP1ABCB1POLBMAPK1LMNA
SCHEMBL8117010 0.85 TDP1 (0.68) TDP1ABCB1POLBMAPK1LMNA
SCHEMBL8587285 0.85 TDP1 (0.68) TDP1ABCB1POLBMAPK1LMNA
SCHEMBL258998 0.85 TDP1 (0.68) TDP1ABCB1POLBMAPK1LMNA
SCHEMBL6464207 0.85 TDP1 (0.68) TDP1ABCB1POLBMAPK1LMNA
SCHEMBL2279600 0.85 TDP1 (0.68) TDP1ABCB1POLBMAPK1LMNA
Ammonia Solution, Strong SCHEMBL17061382 0.83 TDP1 (0.66) TDP1ABCB1POLBMAPK1
SCHEMBL315060 0.83 TDP1 (0.66) TDP1ABCB1POLBMAPK1
SCHEMBL826717 0.82 TDP1 (0.96) TDP1ABCB1POLBMAPK1MAPT

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 4 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