SCHEMBL21116146

SCHEMBL21116146

C=C(C)C(=O)OCCNC(=O)OCCOCC1(C)CC2CC(C1)C1CC(C)(COCCOCCOC(=O)NCCOC(C)=O)CCC21

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
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
SCHEMBL21116137 0.93 MEN1 (0.37) THRB
SCHEMBL21116145 0.91
SCHEMBL21115953 0.89 MEN1 (0.34)
SCHEMBL21116147 0.85 TSHR (0.32)
SCHEMBL21115847 0.83 MEN1 (0.33)
SCHEMBL21115827 0.82 TSHR (0.34)
SCHEMBL21115852 0.81 TSHR (0.36)
SCHEMBL21115851 0.78 TSHR (0.33)
SCHEMBL21115863 0.78
SCHEMBL21115991 0.77 TSHR (0.34)

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
EP-2741728-B1 DENTAL COMPOSITION, METHOD OF PRODUCING AND USE THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2019-06-26 EP disclosed