SCHEMBL17469855

SCHEMBL17469855

CC(C#CC(C)OS(=O)(=O)O)OS(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL5552504 0.87
SCHEMBL17466305 0.85
SCHEMBL17469811 0.82
SCHEMBL5558123 0.79
SCHEMBL16160726 0.79
SCHEMBL2106256 0.74 ALDH1A1 (0.55) CA2ALDH1A1CA1CA9TSHR
SCHEMBL374821 0.73
SCHEMBL9743938 0.73 CA2 (0.50) CA2ALDH1A1CA1CA9TSHR
SCHEMBL10904910 0.73 CA2 (0.39) CA2ALDH1A1CA1CA9TSHR
Ammonia Solution, Strong SCHEMBL833018 0.71

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-20160027592-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTRICITY STORAGE DEVICE USING SAME UBE INDUSTRIES, LTD. (JP) 2016-01-28 US disclosed