SCHEMBL19999744

SCHEMBL19999744

C#CCOC(=O)C(C#N)CC#N

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.35
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 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
SCHEMBL10011697 0.77 NPC1 (0.35) POLBNPC1SLC1A3SLC1A2SLC1A1
SCHEMBL2002088 0.76 MEN1 (0.40) POLB
SCHEMBL27947536 0.74 MEN1 (0.39) POLB
Hydrochloric Acid SCHEMBL28385805 0.74 MEN1 (0.39) POLB
SCHEMBL8149058 0.74 SMN1; SMN2 (0.34)
SCHEMBL15477309 0.73 HCAR2 (0.33)
SCHEMBL7600982 0.72 MAPT (0.34)
SCHEMBL15477513 0.71 TSHR (0.34)
SCHEMBL18704241 0.70 ALDH1A1 (0.44)
SCHEMBL19105367 0.69 NPC1 (0.35) NPC1SLC1A3SLC1A2SLC1A1

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
EP-3300157-B1 NON-AQUEOUS ELECTROLYTE ADDITIVE, NON-AQUEOUS ELECTROLYTE CONTAINING SAME FOR LITHIUM SECONDARY BATTERY, AND LITHIUM SECONDARY BATTERY LG CHEMICAL LTD (KR) 2019-10-16 EP disclosed
US-20180198157-A1 NON-AQUEOUS ELECTROLYTE ADDITIVE, AND NON-AQUEOUS ELECTROLYTE FOR LITHIUM SECONDARY BATTERY COMPRISING THE SAME AND LITHIUM SECONDARY BATTERY LG CHEM, LTD. (KR) 2018-07-12 US disclosed
US-20180198157-A1 NON-AQUEOUS ELECTROLYTE ADDITIVE, AND NON-AQUEOUS ELECTROLYTE FOR LITHIUM SECONDARY BATTERY COMPRISING THE SAME AND LITHIUM SECONDARY BATTERY LG CHEM, LTD. (KR) 2018-07-12 US disclosed
EP-3300157-A2 NON-AQUEOUS ELECTROLYTE ADDITIVE, NON-AQUEOUS ELECTROLYTE CONTAINING SAME FOR LITHIUM SECONDARY BATTERY, AND LITHIUM SECONDARY BATTERY LG Chem, Ltd. (KR) 2018-03-28 EP disclosed