SCHEMBL8551824

SCHEMBL8551824

O=C(O)COC(=O)OC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
CTH P32929 1/20 0.39
CBS P35520 1/20 0.39
THPO P40225 1/20 0.39
THRB P10828 1/20 0.38
SOAT1 P35610 1/20 0.38
PAM P19021 3/20 0.35
FFAR3 O14843 1/20 0.33
ALOX15 P16050 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
SCHEMBL3182447 0.82 TSHR (0.47) TSHRCTHCBSTHPOTHRB
SCHEMBL10495649 0.79 TSHR (0.45) TSHRCTHCBSTHPOTHRB
SCHEMBL27512674 0.79 SOAT1 (0.40) TSHRSOAT1FFAR3
SCHEMBL5270527 0.77 SOAT1 (0.41) SOAT1FFAR3
SCHEMBL3057906 0.76
SCHEMBL30288115 0.73
SCHEMBL29951822 0.72
SCHEMBL510170 0.72
SCHEMBL254444 0.71 CA1 (0.33) TSHRSOAT1FFAR3
SCHEMBL21611838 0.70 TSHR (0.38) TSHRCTHCBSTHPOTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0721950-B1 Cardioactive 3-alkoxycarbonyl-thiadiazinones MERCK PATENT GMBH (DE) 1998-05-06 EP disclosed
EP-0721950-A2 Cardioactive 3-alkoxycarbonyl-thiadiazinones MERCK PATENT GmbH (DE) 1996-07-17 EP disclosed