SCHEMBL14775479

SCHEMBL14775479

CCCC(C)=COC(=O)OC=C(C)CCC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
CES1 P23141 2/20 0.38
CES2 O00748 1/20 0.38
HDAC3 O15379 4/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC2 Q92769 4/20 0.36
HDAC8 Q9BY41 4/20 0.36
FFAR3 O14843 3/20 0.36
TSHR P16473 1/20 0.35
HDAC6 Q9UBN7 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRNB3 Q05901 1/20 0.31
CHRNA6 Q15825 1/20 0.31
CTSD P07339 1/20 0.31

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
SCHEMBL27261275 0.86 ALDH1A1 (0.39) ALDH1A1CES1CES2HDAC3HDAC1
SCHEMBL9622072 0.86 HCAR2 (0.37) ALDH1A1CES1CES2HDAC3HDAC1
SCHEMBL10478960 0.82 TSHR (0.42) ALDH1A1CES1CES2HDAC3HDAC1
SCHEMBL10478959 0.82 TSHR (0.42) ALDH1A1CES1CES2HDAC3HDAC1
SCHEMBL14775400 0.80 ALDH1A1 (0.38) ALDH1A1FFAR3TSHR
SCHEMBL27723492 0.79 TSHR (0.42) ALDH1A1CES1CES2HDAC3HDAC1
SCHEMBL27446091 0.79 TSHR (0.40) ALDH1A1CES1CES2HDAC3HDAC1
SCHEMBL7697795 0.79 ALDH1A1 (0.33) ALDH1A1CES1CES2HDAC3HDAC1
SCHEMBL28020442 0.79 CES1 (0.40) ALDH1A1CES1CES2TSHR
SCHEMBL28103759 0.74 ALDH1A1 (0.30) ALDH1A1

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
EP-2571090-B9 NONAQUEOUS-ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEM CORP (JP) 2017-03-15 EP disclosed
EP-2571090-B1 NONAQUEOUS-ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEM CORP (JP) 2016-09-07 EP disclosed
US-20150044554-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2015-02-12 US disclosed
EP-2618418-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2013-07-24 EP disclosed
US-20130071731-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2013-03-21 US disclosed
EP-2571089-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2013-03-20 EP disclosed
EP-2571090-A1 NONAQUEOUS-ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2013-03-20 EP disclosed