SCHEMBL20171749

SCHEMBL20171749

C=C(C)C(=O)OCCCc1cc(C2CCC(C3CCC(C4CCC(CCCCC)CC4)CC3)CC2)cc(CCCOC(=O)C(C)(C)C)c1OCCC(C)(CO)CO

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 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
SCHEMBL21891406 0.96 TSHR (0.31) TSHR
SCHEMBL20171747 0.96 TSHR (0.35) TSHR
SCHEMBL20171750 0.96 TSHR (0.35) TSHR
SCHEMBL21115551 0.95 TSHR (0.36) TSHR
SCHEMBL20171699 0.93 TSHR (0.31) TSHR
SCHEMBL20171724 0.93 TSHR (0.31) TSHR
SCHEMBL20171754 0.92 TSHR (0.33) TSHR
SCHEMBL20171771 0.92 TSHR (0.33) TSHR
SCHEMBL20171751 0.91 CNR2 (0.32) TSHR
SCHEMBL21116003 0.89 TSHR (0.35) TSHR

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-3323872-A1 COMPOUNDS FOR HOMOTROPIC ALIGNMENT OF LIQUID CRYSTAL MEDIA Merck Patent GmbH (DE) 2018-05-23 EP disclosed