SCHEMBL4597674

SCHEMBL4597674

CCCCCCCCCCCCCCCCCC(=O)OC1OC1CCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.50
TLR4 O00206 5/20 0.48
PRKCA P17252 6/20 0.48
DGKA P23743 1/20 0.46
LY96 Q9Y6Y9 3/20 0.44
CTSK P43235 1/20 0.43

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
SCHEMBL467559 1.00 NAAA (0.50) NAAATLR4PRKCADGKALY96
SCHEMBL20873457 0.89 TLR4 (0.49) TLR4DGKA
SCHEMBL3702607 0.88 TLR4 (0.53) TLR4DGKA
SCHEMBL467657 0.88 NAAA (0.51) NAAATLR4PRKCADGKALY96
SCHEMBL1933809 0.87 TLR4 (0.57) NAAATLR4PRKCALY96
SCHEMBL28153537 0.87 TLR4 (0.57) NAAATLR4PRKCALY96
SCHEMBL28309676 0.87 TLR4 (0.57) NAAATLR4PRKCALY96
SCHEMBL1933335 0.87 TLR4 (0.57) NAAATLR4PRKCALY96
SCHEMBL11148184 0.85 TLR4 (0.56) TLR4
SCHEMBL30980017 0.84 DGKA (0.49) TLR4DGKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080033118-A1 Aliphatic Polyester Resin Compositions and Shaped Articles 3M INNOVATIVE PROPERTIES COMPANY 2008-02-07 US disclosed
EP-1789493-B1 ALIPHATIC POLYESTER RESIN COMPOSITIONS AND SHAPED ARTICLES 3M INNOVATIVE PROPERTIES CO (US) 2008-01-16 EP disclosed
EP-1789493-A1 ALIPHATIC POLYESTER RESIN COMPOSITIONS AND SHAPED ARTICLES 3M Innovative Properties Company (US) 2007-05-30 EP disclosed
WO-2006026111-A1 ALIPHATIC POLYESTER RESIN COMPOSITIONS AND SHAPED ARTICLES 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-09 WO disclosed
US-20050272843-A1 Aliphatic polyester resin composition 3M INNOVATIVE PROEPRTIES COMPANY 2005-12-08 US disclosed
EP-1572795-A1 ALIPHATIC POLYESTER RESIN COMPOSITION 3M Innovative Properties Company (US) 2005-09-14 EP disclosed
WO-2004055104-A1 ALIPHATIC POLYESTER RESIN COMPOSITION 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-07-01 WO disclosed