SCHEMBL7450456

SCHEMBL7450456

CCC(C(C)=O)C(=O)[O-].CCC(C(C)=O)C(=O)[O-].CCCCCCCC[Sn+2]CCCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.41
CA1 P00915 2/20 0.39
CES2 O00748 4/20 0.36
CES1 P23141 4/20 0.36
GPR84 Q9NQS5 1/20 0.34

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
SCHEMBL1229425 0.93 CA2 (0.40) CA2CA1CES2CES1
SCHEMBL29626886 0.88 CA2 (0.47) CA2CA1CES2CES1GPR84
SCHEMBL9070232 0.83 CA2 (0.33) CA2CA1
SCHEMBL30657215 0.82 CA2 (0.43) CA2CA1CES2CES1GPR84
Acetic Acid SCHEMBL630646 0.81 CES1 (0.48) CA2CA1CES2CES1GPR84
Acetic Acid SCHEMBL4445253 0.81 CES1 (0.48) CA2CA1CES2CES1GPR84
Acetic Acid SCHEMBL3826722 0.81 CES1 (0.48) CA2CA1CES2CES1GPR84
Acetic Acid SCHEMBL123724 0.81 CES1 (0.48) CA2CA1CES2CES1GPR84
Acetic Acid SCHEMBL29714835 0.81 CES1 (0.48) CA2CA1CES2CES1GPR84
SCHEMBL6153094 0.81 CA2 (0.50) CA2CA1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020042461-A1 Composition of cyclic olefin addition copolymer and cross-linked material JSR CORPORATION (JP) 2002-04-11 US disclosed