SCHEMBL609442

SCHEMBL609442

O=C(OCCCCC(F)F)OCCCCC(F)F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
NAAA Q02083 1/20 0.31
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL610195 0.98 TSHR (0.37) ALDH1A1CYP3A4TSHRNAAAMAPT
SCHEMBL2991210 0.93 ALDH1A1 (0.32) ALDH1A1CYP3A4TSHR
SCHEMBL21943244 0.90 ALDH1A1 (0.50) ALDH1A1TSHRNAAAMAPTTDP1
SCHEMBL609860 0.84 MAPT (0.33) ALDH1A1CYP3A4TSHRNAAAMAPT
SCHEMBL609974 0.82 CHRNB2 (0.35) ALDH1A1
SCHEMBL27736562 0.82 CA1 (0.35) ALDH1A1TSHR
SCHEMBL14413828 0.77 TSHR (0.67) ALDH1A1CYP3A4TSHR
SCHEMBL16754713 0.76 TDP1 (0.30) ALDH1A1MAPTTDP1
SCHEMBL2347061 0.76 RARB (0.42) ALDH1A1NAAATDP1
SCHEMBL25858095 0.76 MAPT (0.30) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120045698-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-02-23 US disclosed
US-20120040252-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-02-16 US disclosed
EP-2278652-A2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery using the same Mitsubishi Chemical Corporation (JP) 2011-01-26 EP disclosed
US-7803487-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2010-09-28 US disclosed
US-20100216036-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2010-08-26 US disclosed
US-20080102375-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2008-05-01 US disclosed
EP-1898485-A1 NONAQUEOUS ELECTROLYTE, AND RECHARGEABLE BATTERY WITH NONAQUEOUS ELECTROLYTE Mitsubishi Chemical Corporation (JP) 2008-03-12 EP disclosed