SCHEMBL28200908

SCHEMBL28200908

CC(=O)C(OC(C)C)(C(C)=O)C(C)=O.[Ta]

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
CA1 P00915 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 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
SCHEMBL27351649 0.94 TSHR (0.39) TSHRCA1
SCHEMBL28515563 0.82 TSHR (0.35) TSHR
SCHEMBL28515565 0.82 TSHR (0.35) TSHRCA1
SCHEMBL27465216 0.80 TSHR (0.33) TSHR
SCHEMBL28774686 0.80 TSHR (0.44) TSHR
SCHEMBL29104398 0.79 TSHR (0.42) TSHR
SCHEMBL27917285 0.79
SCHEMBL9840386 0.74
Selenium SCHEMBL9841074 0.74
SCHEMBL27917293 0.74

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
CN-105449228-B Manufacture method, electrode catalyst for fuel cell and its purposes of electrode catalyst for fuel cell 昭和电工株式会社 2018-02-16 CN disclosed