SCHEMBL2361609

SCHEMBL2361609

C=CCC(C(=O)O)C(O)C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.34
GRIK2 Q13002 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2C19 P33261 1/20 0.33
CPA1 P15085 1/20 0.33
TSHR P16473 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
ZDHHC7 Q9NXF8 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
SCHEMBL2361611 0.85 GRIK1 (0.34) GRIK1GRIK2ALDH1A1LMNAMEN1
SCHEMBL3876359 0.80 TSHR (0.41) GRIK1GRIK2ALDH1A1CYP2C19CPA1
SCHEMBL7421629 0.80 TSHR (0.41) GRIK1GRIK2ALDH1A1CYP2C19CPA1
SCHEMBL1865400 0.80 TSHR (0.41) GRIK1GRIK2ALDH1A1CYP2C19CPA1
SCHEMBL8241269 0.77 MMP2 (0.40) GRIK1GRIK2ALDH1A1MEN1KMT2A
SCHEMBL8166025 0.77 MMP2 (0.40) GRIK1GRIK2ALDH1A1MEN1KMT2A
SCHEMBL8024204 0.77 MEN1 (0.39) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL2336327 0.76 KMT2A (0.45) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL8420441 0.76 KMT2A (0.45) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL8301341 0.76 LTA4H (0.46) ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735004-B2 Overcharge inhibitor, and nonaqueous electrolyte solution and secondary battery using the same HITACHI, LTD. (JP) 2014-05-27 US disclosed
EP-2355228-A1 Overcharge inhibitor, and nonaqueous electrolyte solution and secondary battery using the same Hitachi Ltd. (JP) 2011-08-10 EP disclosed
US-20110189550-A1 OVERCHARGE INHIBITOR, AND NONAQUEOUS ELECTROLYTE SOLUTION AND SECONDARY BATTERY USING THE SAME HITACHI, LTD. 2011-08-04 US disclosed