SCHEMBL8718540

SCHEMBL8718540

CC(=O)O[C@@H]1C[C@@H](OC(C)=O)O[C@H](C)C1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.65
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
CA9 Q16790 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 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
SCHEMBL8718537 1.00 TSHR (0.65) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL8718538 1.00 TSHR (0.65) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL8937 0.78 TSHR (1.00) TSHRCA9CA12CA1CA2
Hydrochloric Acid SCHEMBL10338358 0.77 TSHR (0.96) TSHRCA9CA12CA1CA2
SCHEMBL18911456 0.75 TSHR (0.45) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL19020471 0.74 TSHR (0.44) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL17528074 0.74 TSHR (0.44) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL15292145 0.74 TSHR (0.44) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL27366569 0.74 TSHR (0.44) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL14765414 0.74 TSHR (0.55) TSHRCHRM2CHRM4CHRM1CHRM3

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
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