SCHEMBL2984995

SCHEMBL2984995

C/C=C\C(COC(=O)O)OC(=O)O

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL8591806 0.78
SCHEMBL9540454 0.77 TSHR (0.33)
SCHEMBL10948262 0.75 TDP1 (0.47)
SCHEMBL10948272 0.75 TDP1 (0.47)
SCHEMBL130329 0.74 TSHR (0.34)
Ethylene Glycol SCHEMBL11320482 0.69 TSHR (0.33)
SCHEMBL15053822 0.69 TSHR (0.37)
SCHEMBL15308 0.69 TSHR (0.37)
SCHEMBL8727210 0.69 TSHR (0.37)
SCHEMBL748244 0.69 TSHR (0.37)

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-8673507-B2 Inhibitor of reduction of life cycle of redox shuttle additive and non-aqueous electrolyte and secondary battery comprising the same LG CHEM, LTD. (KR) 2014-03-18 US disclosed
US-20130216898-A1 INHIBITOR OF REDUCTION OF LIFE CYCLE OF REDOX SHUTTLE ADDITIVE AND NON-AQUEOUS ELECTROLYTE AND SECONDARY BATTERY COMPRISING THE SAME LG CHEM, LTD. (KR) 2013-08-22 US disclosed
US-8481216-B2 Inhibitor of reduction of life cycle of redox shuttle additive and non-aqueous electrolyte and secondary battery comprising the same LG CHEM, LTD. (KR) 2013-07-09 US disclosed
EP-1952476-B1 USE OF AN INHIBITOR OF REDUCTION OF LIFE CYCLE OF A REDOX SHUTTLE ADDITIVE FOR A NON-AQUEOUS ELECTROLYTE AND A SECONDARY BATTERY LG CHEMICAL LTD (KR) 2010-09-15 EP disclosed
EP-1952476-A1 INHIBITOR OF REDUCTION OF LIFE CYCLE OF REDOX SHUTTLE ADDITIVE AND NON-AQUEOUS ELECTROLYTE AND SECONDARY BATTERY COMPRISING THE SAME LG Chem, Ltd. (KR) 2008-08-06 EP disclosed
WO-2007049888-A1 INHIBITOR OF REDUCTION OF LIFE CYCLE OF REDOX SHUTTLE ADDITIVE AND NON-AQUEOUS ELECTROLYTE AND SECONDARY BATTERY COMPRISING THE SAME LG CHEM, LTD. (KR) 2007-05-03 WO disclosed
US-20070092802-A1 INHIBITOR OF REDUCTION OF LIFE CYCLE OF REDOX SHUTTLE ADDITIVE AND NON-AQUEOUS ELECTROLYTE AND SECONDARY BATTERY COMPRISING THE SAME LG CHEM, LTD. (KR) 2007-04-26 US disclosed