SCHEMBL4457981

SCHEMBL4457981

CCO[Si](CCSC(=O)CC)(OCC)OCC

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL4457552 0.90 TDP1 (0.30) TDP1
SCHEMBL3689569 0.85 ALDH1A1 (0.31)
SCHEMBL29488585 0.84
SCHEMBL29488603 0.84
SCHEMBL4464085 0.83 CES1 (0.35)
SCHEMBL29488588 0.83 CES2 (0.33)
SCHEMBL97873 0.82 CES2 (0.38) TDP1
SCHEMBL3680496 0.82 CYP2C19 (0.39) TDP1
SCHEMBL4454853 0.82 LMNA (0.32) TDP1
SCHEMBL98404 0.80 CES2 (0.39) TDP1

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
EP-1680469-B1 SILICA-FILLED ELASTOMERIC COMPOUNDS LANXESS INC (CA) 2009-01-07 EP claimed
CN-1894329-A Butyl rubber composition for tire treads LANXESS INC (CA) 2007-01-10 CN disclosed