SCHEMBL16572452

SCHEMBL16572452

C=CS(=O)(=O)CCOCCOCC

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
TSHR P16473 3/20 0.34
THRB P10828 1/20 0.34
TP53 P04637 2/20 0.30
HIF1A Q16665 2/20 0.30
HSD17B10 Q99714 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
SCHEMBL277661 0.96 ALDH1A1 (0.33) ALDH1A1TSHRTHRB
SCHEMBL4357945 0.89 ALDH1A1 (0.36) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL259146 0.87 ALDH1A1 (0.32) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL749982 0.85 CA1 (0.33) ALDH1A1TP53HSD17B10
SCHEMBL9237706 0.83 CA2 (0.40) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL2757812 0.82 ALDH1A1 (0.33) ALDH1A1TP53HSD17B10
SCHEMBL8557919 0.80
SCHEMBL12703069 0.79 MEN1 (0.46) ALDH1A1TSHRTHRBTP53HIF1A
Ethylene Glycol SCHEMBL27885940 0.78 TSHR (0.33) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL17453659 0.77 TSHR (0.43) ALDH1A1TSHRTHRBTP53HIF1A

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
US-8980278-B2 Bio-functionalized stimulus-responsive dissolvable PEG-hydrogels UNIVERSITAETSKLINIKUM FREIBURG (DE) 2015-03-17 US disclosed