SCHEMBL3128707

SCHEMBL3128707

C=C(C)C(=O)OC(SCC)c1ccc(C(OC(=O)C(=C)C)SCC)s1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
THRB P10828 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
SCHEMBL5014107 0.84 TSHR (0.35) TSHRTHRB
SCHEMBL3138262 0.80 ACACB (0.36) TSHRTHRB
SCHEMBL5015459 0.80 CASP1 (0.38) TSHRTHRB
SCHEMBL10427438 0.71 TSHR (0.41) TSHRTHRB
SCHEMBL1695697 0.70 TSHR (0.44) TSHRTHRB
SCHEMBL26816200 0.68 WRN (0.32) TSHR
SCHEMBL28119927 0.67 TSHR (0.37) TSHRTHRB
SCHEMBL3128717 0.67 TSHR (0.35) TSHR
SCHEMBL21385093 0.65 TSHR (0.39) TSHRTHRB
SCHEMBL27001582 0.65 TSHR (0.35) TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139878-A2 HIGH REFRACTIVE INDEX MONOMERS, COMPOSITIONS AND USES THEREOF BASF SE (DE) 2010-01-06 EP disclosed
WO-2008101806-A2 HIGH REFRACTIVE INDEX MONOMERS, COMPOSITIONS AND USES THEREOF BASF SE (CH) 2008-08-28 WO disclosed
US-20080200582-A1 High refractive index monomers, compositions and uses thereof CIBA CORP. 2008-08-21 US disclosed