SCHEMBL7145266

SCHEMBL7145266

CC(=O)OCC1=C(OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)O1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CA2 P00918 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ LMNA P02545 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
SCHEMBL7156251 0.66 ALDH1A1 (0.36) ALDH1A1CYP2D6THRBHSD17B10CA2
SCHEMBL7640937 0.66 ALDH1A1 (0.36) ALDH1A1CYP2D6THRBHSD17B10CA2
SCHEMBL7148699 0.64 OGA (0.38) CYP2D6THRBHSD17B10TSHR
SCHEMBL7153575 0.64 OGA (0.38) CYP2D6THRBHSD17B10TSHR
SCHEMBL11413331 0.60 CA1 (0.34) ALDH1A1CYP2D6THRBHSD17B10CA2
SCHEMBL6239338 0.60 TSHR (0.46) CYP2D6THRBHSD17B10CA2TSHR
SCHEMBL9694585 0.60 TSHR (0.46) CYP2D6THRBHSD17B10CA2TSHR
SCHEMBL7152306 0.59 TSHR (0.48) CYP2D6THRBHSD17B10CA2TSHR
SCHEMBL17794446 0.59 TSHR (0.48) CYP2D6THRBHSD17B10CA2TSHR
SCHEMBL7151005 0.59 TSHR (0.48) CYP2D6THRBHSD17B10CA2TSHR

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 1 patent. 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
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