SCHEMBL3689569

SCHEMBL3689569

CCCC(=O)SCC[Si](OCC)(OCC)OCC

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
XBP1 P17861 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL3689226 0.91 ALDH1A1 (0.30) ALDH1A1
SCHEMBL4464085 0.91 CES1 (0.35) ALDH1A1CES2CES1RAB9A
SCHEMBL97873 0.89 CES2 (0.38) ALDH1A1CES2CES1
SCHEMBL30205801 0.88 CES2 (0.39) ALDH1A1CES2CES1
SCHEMBL30205678 0.88 CES2 (0.39) ALDH1A1CES2CES1
SCHEMBL97173 0.88 CES2 (0.39) ALDH1A1CES2CES1
SCHEMBL98404 0.88 CES2 (0.39) ALDH1A1CES2CES1
SCHEMBL30205669 0.88 CES2 (0.39) ALDH1A1CES2CES1
SCHEMBL30205672 0.88 CES2 (0.39) ALDH1A1CES2CES1
SCHEMBL97467 0.88 CES2 (0.39) ALDH1A1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7847000-B2 Silica-filled elastomeric compounds LANXESS INC. (CA) 2010-12-07 US claimed
EP-1680469-B1 SILICA-FILLED ELASTOMERIC COMPOUNDS LANXESS INC (CA) 2009-01-07 EP claimed
EP-1680469-A4 SILICA-FILLED ELASTOMERIC COMPOUNDS LANXESS INC (CA) 2007-09-05 EP claimed
JP-2007509209-A 2007-04-12 JP claimed
US-20060293423-A1 Silica-filled elastomeric compounds LANXESS INC. (CA) 2006-12-28 US claimed
EP-1680469-A1 SILICA-FILLED ELASTOMERIC COMPOUNDS Lanxess Inc. (CA) 2006-07-19 EP claimed
WO-2005040272-A1 SILICA-FILLED ELASTOMERIC COMPOUNDS LANXESS INC. (CA) 2005-05-06 WO claimed
US-7847000-B2 Silica-filled elastomeric compounds LANXESS INC. (CA) 2010-12-07 US disclosed
EP-1680469-B1 SILICA-FILLED ELASTOMERIC COMPOUNDS LANXESS INC (CA) 2009-01-07 EP disclosed
US-20080242771-A1 Butyl Rubber Composition for Tire Treads LANXESS INC. (CA) 2008-10-02 US disclosed
EP-1680469-A4 SILICA-FILLED ELASTOMERIC COMPOUNDS LANXESS INC (CA) 2007-09-05 EP disclosed
CN-1894329-A Butyl rubber composition for tire treads LANXESS INC (CA) 2007-01-10 CN disclosed
US-20060293423-A1 Silica-filled elastomeric compounds LANXESS INC. (CA) 2006-12-28 US disclosed
EP-1694764-A1 BUTYL RUBBER COMPOSITION FOR TIRE TREADS Lanxess Inc. (CA) 2006-08-30 EP disclosed
EP-1680469-A1 SILICA-FILLED ELASTOMERIC COMPOUNDS Lanxess Inc. (CA) 2006-07-19 EP disclosed
WO-2005056664-A1 BUTYL RUBBER COMPOSITION FOR TIRE TREADS LANXESS INC. (CA) 2005-06-23 WO disclosed
WO-2005040272-A1 SILICA-FILLED ELASTOMERIC COMPOUNDS LANXESS INC. (CA) 2005-05-06 WO disclosed