SCHEMBL5533722

SCHEMBL5533722

CCC(F)(CC)OC(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
CTRB1 P17538 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
SCHEMBL4922300 0.78 DGAT1 (0.34) CA1CA2ALDH1A1TSHR
SCHEMBL3334297 0.75 TSHR (0.33) CA1CA2ALDH1A1TSHR
SCHEMBL321339 0.74
SCHEMBL7477688 0.73 TSHR (0.32) CA1CA2ALDH1A1TSHR
Ammonia Solution, Strong SCHEMBL8409297 0.73 ALDH1A1 (0.32) CA1CA2ALDH1A1TSHR
SCHEMBL2231156 0.73 TSHR (0.43) CA1CA2ALDH1A1TSHR
SCHEMBL10550164 0.73 LDHA (0.33) TSHR
SCHEMBL1462659 0.72
SCHEMBL13465938 0.72 DGAT1 (0.37) CA1CA2ALDH1A1
SCHEMBL13465933 0.71 TSHR (0.31) TSHRCTRB1

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-20070178379-A1 Non-aqueous electrolyte secondary battery and non-aqueous electrolyte SANYO ELECTRIC CO., LTD. (JP) 2007-08-02 US disclosed
EP-1806806-A1 NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY AND NON-AQUEOUS ELECTROLYTE Sanyo Electric Co., Ltd. (JP) 2007-07-11 EP disclosed