SCHEMBL21890763

SCHEMBL21890763

C=C(C)C(=O)OCCc1cc(C2CCC(C3CCC(C4CCC(CCCCC)CC4)CC3)CC2)cc(CCOC(=O)CC)c1OCCC(CC)(CO)CO

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 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
SCHEMBL20171728 0.96 TSHR (0.33) TSHR
SCHEMBL20171691 0.96 TSHR (0.33) TSHR
SCHEMBL20181139 0.95 TSHR (0.30) TSHR
SCHEMBL20171680 0.92 TSHR (0.34) TSHR
SCHEMBL20171723 0.92 TSHR (0.34) TSHR
SCHEMBL21115701 0.92 TSHR (0.36) TSHR
SCHEMBL20171755 0.91 TSHR (0.33) TSHR
SCHEMBL20171767 0.91 TSHR (0.33) TSHR
SCHEMBL20171673 0.91 TSHR (0.33) TSHR
SCHEMBL20171681 0.91 TSHR (0.33) 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-B1 COMPOUNDS FOR HOMOTROPIC ALIGNMENT OF LIQUID CRYSTAL MEDIA MERCK PATENT GMBH (DE) 2020-04-15 EP disclosed