SCHEMBL6940897

SCHEMBL6940897

CCCCCCCCCCCCCCCCC(O)(CC)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 3/20 0.45
SCN9A Q15858 3/20 0.45
FDPS P14324 9/20 0.44
GGPS1 O95749 5/20 0.44
CES2 O00748 1/20 0.42
SMPD1 P17405 1/20 0.42

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
SCHEMBL31351856 1.00 SCN5A (0.45) SCN5ASCN9AFDPSGGPS1CES2
SCHEMBL22023411 1.00 SCN5A (0.45) SCN5ASCN9AFDPSGGPS1CES2
SCHEMBL21403269 1.00 SCN5A (0.45) SCN5ASCN9AFDPSGGPS1CES2
SCHEMBL1115356 1.00 SCN5A (0.45) SCN5ASCN9AFDPSGGPS1CES2
SCHEMBL3848183 0.98 SCN5A (0.43) SCN5ASCN9AFDPSGGPS1
SCHEMBL20472612 0.91 SCN5A (0.47) SCN5ASCN9AFDPSGGPS1CES2
SCHEMBL28343048 0.91 SCN5A (0.47) SCN5ASCN9AFDPSGGPS1CES2
SCHEMBL9400734 0.91 SCN5A (0.47) SCN5ASCN9AFDPSGGPS1CES2
SCHEMBL376656 0.91 SCN5A (0.47) SCN5ASCN9AFDPSGGPS1CES2
SCHEMBL5664929 0.91 SCN5A (0.47) SCN5ASCN9AFDPSGGPS1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113811580-B Preservative composition 斯凯孚公司 2023-01-24 CN disclosed
CN-113811580-A Preservative composition 斯凯孚公司 2021-12-17 CN disclosed
EP-1045891-A4 NOVEL QUATERNARY AMMONIUM COMPOUNDS, COMPOSITIONS CONTAINING THEM, AND USES THEREOF GOLDSCHMIDT CHEMICAL CORP (US) 2003-01-22 EP disclosed
EP-1045891-A1 NOVEL QUATERNARY AMMONIUM COMPOUNDS, COMPOSITIONS CONTAINING THEM, AND USES THEREOF Goldschmidt Chemical Corporation (US) 2000-10-25 EP disclosed
WO-1999035223-A1 NOVEL QUATERNARY AMMONIUM COMPOUNDS, COMPOSITIONS CONTAINING THEM, AND USES THEREOF WITCO CORPORATION (US) 1999-07-15 WO disclosed