SCHEMBL2978617

SCHEMBL2978617

CCCC(=CCC(=O)P(=O)(O)O)CCC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
MMP2 P08253 5/20 0.33
MMP1 P03956 4/20 0.33
MMP3 P08254 4/20 0.33
MMP9 P14780 2/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
FFAR3 O14843 3/20 0.32
HDAC3 O15379 3/20 0.32
HDAC1 Q13547 3/20 0.32
HDAC2 Q92769 3/20 0.32
HDAC8 Q9BY41 3/20 0.32
MMP8 P22894 3/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL2982730 0.83 MMP1 (0.33) MMP2MMP1MMP3MMP9MMP8
SCHEMBL3469568 0.74
SCHEMBL5506993 0.73 FFAR3 (0.50) CES2CES1FFAR3HDAC3HDAC1
SCHEMBL2988583 0.73 BTN3A1 (0.38) FNTAFNTB
SCHEMBL2919662 0.72 CES2 (0.43) MMP2MMP1MMP3MMP9CES2
SCHEMBL10895255 0.71 GAA (0.44) CES2CES1TSHRALDH1A1
SCHEMBL1594875 0.71 MEN1 (0.41) FNTAFNTBCES2CES1FFAR3
SCHEMBL1594878 0.71 MEN1 (0.41) FNTAFNTBCES2CES1FFAR3
SCHEMBL2984920 0.70 CES2 (0.36) MMP2MMP1MMP3MMP9CES2
SCHEMBL16527347 0.66 CES2 (0.40) MMP2MMP1MMP3MMP9CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962192-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2015-02-24 US disclosed
US-8574757-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2013-11-05 US disclosed
US-20120264011-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-10-18 US disclosed
US-20100035147-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2010-02-11 US disclosed