SCHEMBL3441122

SCHEMBL3441122

CC=CC(C)(O)C(=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
SCHEMBL29201837 0.77
SCHEMBL7761713 0.74 TSHR (0.40)
SCHEMBL16449145 0.74 TSHR (0.40)
SCHEMBL7759825 0.74 TSHR (0.40)
SCHEMBL11305817 0.74
SCHEMBL354385 0.74
SCHEMBL216824 0.74
SCHEMBL10250082 0.74
Methane SCHEMBL28280470 0.72
SCHEMBL28654302 0.72 ALDH1A1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9130244-B2 Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES, LTD. (JP) 2015-09-08 US disclosed
EP-2908376-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME Ube Industries, Ltd. (JP) 2015-08-19 EP disclosed
US-8580429-B2 Non-aqueous electrolyte for a lithium battery, lithium battery wherein said electrolyte is used, and hydroxy-acid derivative for use in said electrolyte UBE INDUSTRIES, LTD. (JP) 2013-11-12 US disclosed
EP-2251926-B1 NON-AQUEOUS ELECTROLYTE FOR A LITHIUM BATTERY, LITHIUM BATTERY USING SAID ELECTROLYTE, AND HYDROXY-ACID DERIVATIVE FOR USE IN SAID ELECTROLYTE UBE INDUSTRIES (JP) 2013-09-11 EP disclosed
EP-2479831-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME Ube Industries, Ltd. (JP) 2012-07-25 EP disclosed
US-20120171581-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES, LTD. (JP) 2012-07-05 US disclosed
US-20110064998-A1 NON-AQUEOUS ELECTROLYTE FOR A LITHIUM BATTERY, LITHIUM BATTERY WHEREIN SAID ELECTROLYTE IS USED, AND HYDROXY-ACID DERIVATIVE FOR USE IN SAID ELECTROLYTE UBE INDUSTRIES, LTD. (JP) 2011-03-17 US disclosed
EP-2251926-A1 NON-AQUEOUS ELECTROLYTE FOR A LITHIUM BATTERY, LITHIUM BATTERY WHEREIN SAID ELECTROLYTE IS USED, AND HYDROXY-ACID DERIVATIVE FOR USE IN SAID ELECTROLYTE Ube Industries, Ltd. (JP) 2010-11-17 EP disclosed