SCHEMBL27652198

SCHEMBL27652198

C=C(C)C(=O)OOS(=O)(=O)CC(C)C

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 2/20 0.35
THRB P10828 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
SCHEMBL9862512 0.87 TSHR (0.40) TSHRALDH1A1THRB
SCHEMBL8323596 0.81 TSHR (0.48) TSHRALDH1A1THRB
SCHEMBL2867756 0.80 ALDH1A1 (0.41) TSHRALDH1A1THRB
SCHEMBL1255357 0.79 ALDH1A1 (0.39) TSHRALDH1A1THRB
Ammonia Solution, Strong SCHEMBL1252867 0.79 ALDH1A1 (0.39) TSHRALDH1A1THRB
SCHEMBL1255334 0.79 ALDH1A1 (0.39) TSHRALDH1A1THRB
SCHEMBL29167479 0.79 ALDH1A1 (0.39) TSHRALDH1A1THRB
SCHEMBL29167456 0.79 ALDH1A1 (0.39) TSHRALDH1A1THRB
SCHEMBL6045306 0.76 TSHR (0.39) TSHRALDH1A1THRB
SCHEMBL28496315 0.76 TSHR (0.47) TSHRALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101010421-B Surface active agent SANYO CHEMICAL IND LTD 2011-08-03 CN disclosed
CN-100417674-C Aqueous high molecular polymer, coagulated dehydrant for sludge and sludge coagulating method DAI ICHI KOGYO SEIYAKU CO LTD (JP) 2008-09-10 CN disclosed
CN-101010421-A Surface active agent SANYO CHEMICAL IND LTD (JP) 2007-08-01 CN disclosed
CN-1840555-A Aqueous high molecular polymer, coagulated dehydrant for sludge and sludge coagulating method DAI ICHI KOGYO SEIYAKU CO LTD (JP) 2006-10-04 CN disclosed