SCHEMBL6065052

SCHEMBL6065052

C=C(CS)C(=O)OCCOC(=O)C(=C)CS

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
TSHR P16473 5/20 0.34
ALDH1A1 P00352 2/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
HSD17B10 Q99714 2/20 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
SCHEMBL4829187 0.86 TSHR (0.42) THRBTSHRALDH1A1HSD17B10
SCHEMBL6392986 0.83 TSHR (0.53) THRBTSHRALDH1A1
SCHEMBL9170709 0.81 TSHR (0.34) THRBTSHR
SCHEMBL1275670 0.81 CHRM1 (0.48) THRBTSHRALDH1A1
SCHEMBL9171056 0.81 THRB (0.32) THRBTSHR
SCHEMBL4829385 0.80
SCHEMBL57345 0.74 THRB (0.50) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL1481676 0.74
SCHEMBL2768512 0.74
SCHEMBL7184471 0.72 THRB (0.39) THRBTSHRALDH1A1TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329763-B2 Hydrogel EVONIK ROEHM GMBH (DE) 2012-12-11 US claimed
US-20120145942-A1 Hydrogel EVONIK ROEHM GMBH (DE) 2012-06-14 US claimed
CN-100400561-C Hydrogel ROEHM GMBH (DE) 2008-07-09 CN claimed
US-20060264571-A1 Hydrogel ROHM GMBH (DE) 2006-11-23 US claimed
CN-1856517-A Hydrogel ROEHM GMBH (DE) 2006-11-01 CN claimed
US-8329763-B2 Hydrogel EVONIK ROEHM GMBH (DE) 2012-12-11 US disclosed
US-20120145942-A1 Hydrogel EVONIK ROEHM GMBH (DE) 2012-06-14 US disclosed
CN-100400561-C Hydrogel ROEHM GMBH (DE) 2008-07-09 CN disclosed
US-20060264571-A1 Hydrogel ROHM GMBH (DE) 2006-11-23 US disclosed
CN-1856517-A Hydrogel ROEHM GMBH (DE) 2006-11-01 CN disclosed