SCHEMBL3258796

SCHEMBL3258796

C=C(CCOC)OC(=C)CCOC.C=C(CCOCC)OC(=C)CCOCC

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
THRB P10828 1/20 0.35
TSHR P16473 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
SCHEMBL2464962 0.91 ALDH1A1 (0.43) ALDH1A1THRBTSHR
SCHEMBL433514 0.86 ALDH1A1 (0.32) ALDH1A1
SCHEMBL2967644 0.82 CA2 (0.31)
SCHEMBL698010 0.82 CA2 (0.31)
SCHEMBL21174465 0.75 HSD17B10 (0.36) TSHR
SCHEMBL9162272 0.71 TSHR (0.50) ALDH1A1THRBTSHR
SCHEMBL9083703 0.71 ALDH1A1 (0.48) ALDH1A1THRBTSHR
SCHEMBL1454397 0.71
SCHEMBL1269979 0.69
SCHEMBL7775022 0.69

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
EP-1922400-B1 DELIVERY SYSTEM FOR RELEASING SILICONE INGREDIENTS DOW CORNING (US) 2010-07-07 EP disclosed