SCHEMBL14778151

SCHEMBL14778151

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

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL14779604 0.85 ALDH1A1 (0.46) ALDH1A1CA1CA2CA9
SCHEMBL11155362 0.82 ALDH1A1 (0.48) ALDH1A1USP2TSHR
SCHEMBL26137571 0.80 ALDH1A1 (0.46) ALDH1A1CA1CA2CA9
SCHEMBL11150914 0.80 ALDH1A1 (0.46) ALDH1A1
SCHEMBL4353683 0.77 ALDH1A1 (0.38) ALDH1A1USP2TSHR
SCHEMBL3395529 0.77 ALDH1A1 (0.38) ALDH1A1USP2TSHR
SCHEMBL20348748 0.76 ALDH1A1 (0.60) ALDH1A1USP2TSHRCA1CA2
SCHEMBL14779076 0.76 ALDH1A1 (0.60) ALDH1A1USP2TSHRCA1CA2
SCHEMBL14779372 0.75
SCHEMBL14836874 0.75

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-9240614-B2 Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES, LTD. (JP) 2016-01-19 US disclosed
EP-2579377-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES (JP) 2014-09-03 EP disclosed
EP-2579377-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME Ube Industries, Ltd. (JP) 2013-04-10 EP disclosed
US-20130071733-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES, LTD. (JP) 2013-03-21 US disclosed