SCHEMBL6521283

SCHEMBL6521283

CCCCC(C)(C)C(=O)[O-].CCCCC(C)(C)C(=O)[O-].CCCCC(C)(C)C(=O)[O-].CCCCC(C)(C)C(=O)[O-].[Zr+4]

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.41
CES1 P23141 6/20 0.40
CES2 O00748 6/20 0.40
CA2 P00918 2/20 0.39
FDPS P14324 1/20 0.35
FFAR3 O14843 2/20 0.35
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4540510 0.98 CA1 (0.42) CA1CES1CES2CA2FDPS
SCHEMBL4303061 0.98 CA1 (0.42) CA1CES1CES2CA2FDPS
SCHEMBL31150307 0.95 CA1 (0.41) CA1CES1CES2CA2FDPS
SCHEMBL28648937 0.95 CA1 (0.41) CA1CES1CES2CA2FDPS
SCHEMBL22396505 0.95 CA1 (0.41) CA1CES1CES2CA2FDPS
Potassium Ion SCHEMBL25232930 0.95 CA1 (0.41) CA1CES1CES2CA2FDPS
SCHEMBL8703475 0.95 CA1 (0.41) CA1CES1CES2CA2FDPS
SCHEMBL8703473 0.95 CA1 (0.41) CA1CES1CES2CA2FDPS
SCHEMBL22396447 0.88 CES2 (0.42) CA1CES1CES2CA2FDPS
SCHEMBL22396481 0.86 CES2 (0.44) CES1CES2CA2FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6875532-B2 Method for manufacturing a single high-temperature fuel cell and its components SEVASTYANOV VLADIMIR VLADIMIRO (RU) 2005-04-05 US disclosed
US-20020122967-A1 Method for manufacturing a single high-temperature fuel cell and its components GORINA LILIYA FEDOROVNA (RU) 2002-09-05 US disclosed