SCHEMBL776627

SCHEMBL776627

CC(C)(C)C(F)(F)S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL3313680 0.81 ALDH1A1 (0.39) ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL4448952 0.81 ALDH1A1 (0.39) ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL16110455 0.81 ALDH1A1 (0.39) ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL715643 0.80 ALDH1A1 (0.43) ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL301944 0.79 ALDH1A1 (0.47) ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL13107713 0.79 ALDH1A1 (0.38) ALDH1A1L3MBTL1TSHRTDP1
Hydrochloric Acid SCHEMBL28320011 0.79 ALDH1A1 (0.38) ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL3743473 0.78 ALDH1A1 (0.41) ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL3751488 0.78 ALDH1A1 (0.41) ALDH1A1L3MBTL1TSHRTDP1
Water SCHEMBL10964102 0.78 ALDH1A1 (0.41) ALDH1A1L3MBTL1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9343777-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-05-17 US disclosed
US-9252457-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 US disclosed
US-20120177988-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-07-12 US disclosed
US-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 US disclosed
US-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed