SCHEMBL17333349

SCHEMBL17333349

CCCCCCOB([O])OCCCCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.43
CA2 P00918 8/20 0.43
CA9 Q16790 7/20 0.43
LPAR3 Q9UBY5 3/20 0.43
CA12 O43570 3/20 0.43
CA7 P43166 3/20 0.43
CA14 Q9ULX7 3/20 0.43
LPAR1 Q92633 2/20 0.43
LPAR2 Q9HBW0 2/20 0.43
CA3 P07451 2/20 0.43
CA4 P22748 2/20 0.43
CA6 P23280 2/20 0.43
CA5A P35218 2/20 0.43
CA5B Q9Y2D0 2/20 0.43
NAAA Q02083 1/20 0.43
TSHR P16473 2/20 0.42
THRB P10828 2/20 0.42
RECQL P46063 2/20 0.41
CES2 O00748 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL17333187 0.97 CA1 (0.41) CA1CA2CA9LPAR3CA12
SCHEMBL17333303 0.89 CYP3A4 (0.48) CA1CA2CA9TSHRTHRB
SCHEMBL10924921 0.78 THRB (0.47) CA1CA2CA9LPAR3CA12
SCHEMBL205139 0.78 THRB (0.47) CA1CA2CA9LPAR3CA12
SCHEMBL185731 0.78 THRB (0.47) CA1CA2CA9LPAR3CA12
SCHEMBL11630788 0.78 THRB (0.47) CA1CA2CA9LPAR3CA12
SCHEMBL187020 0.78 THRB (0.47) CA1CA2CA9LPAR3CA12
SCHEMBL350142 0.78 THRB (0.47) CA1CA2CA9LPAR3CA12
SCHEMBL50779 0.78 THRB (0.47) CA1CA2CA9LPAR3CA12
SCHEMBL187350 0.78 THRB (0.47) CA1CA2CA9LPAR3CA12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10439252-B2 Electrolyte solution for electrochemical device, and electrochemical device FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-08 US disclosed
US-20150364792-A1 ELECTROLYTE SOLUTION FOR ELECTROCHEMICAL DEVICE, AND ELECTROCHEMICAL DEVICE WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-17 US disclosed