SCHEMBL776626

SCHEMBL776626

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

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL31091250 0.85 CA2 (0.37)
SCHEMBL779226 0.77 ALDH1A1 (0.32) ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL29433272 0.75 TSHR (0.35) ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL28558721 0.75 TSHR (0.35) ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL10002102 0.75 TSHR (0.35) ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL64334 0.75
SCHEMBL3797265 0.74 CES1 (0.32) ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL8172351 0.73
Ammonia Solution, Strong SCHEMBL2512351 0.73 ALDH1A1 (0.33) ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL15203836 0.73

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