SCHEMBL3700770

SCHEMBL3700770

C=C(CCCC)C(=O)O[Si](C)(OC)OC

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.35
CES2 O00748 2/20 0.35
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
CA1 P00915 1/20 0.32

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
SCHEMBL6689305 0.89 ALDH1A1 (0.32) CES1CES2ALDH1A1
SCHEMBL1067977 0.84 CES1 (0.37) CES1CES2TSHRALDH1A1TP53
SCHEMBL3128838 0.83 CES1 (0.39) CES1CES2TSHRALDH1A1TP53
SCHEMBL8063861 0.77 CES1 (0.34) CES1CES2TSHRALDH1A1TP53
SCHEMBL3195339 0.77 CES2 (0.31) CES1CES2TSHR
SCHEMBL1298659 0.77 CES1 (0.44) CES1CES2TSHRALDH1A1TP53
SCHEMBL18190223 0.75 CES1 (0.35) CES1CES2TSHRALDH1A1TP53
SCHEMBL10579259 0.75 TSHR (0.42) CES1CES2TSHRALDH1A1TP53
Ethylene SCHEMBL9299137 0.75 CES1 (0.42) CES1CES2TSHRALDH1A1TP53
SCHEMBL6916133 0.74 CES1 (0.46) CES1CES2TSHRALDH1A1TP53

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-8519026-B2 Waterborne polymeric dispersions NUPLEX RESINS B.V. (NL) 2013-08-27 US disclosed
US-20100331453-A1 Waterborne Polymeric Dispersions NUPLEX RESINS B.V. (NL) 2010-12-30 US disclosed