SCHEMBL20171719

SCHEMBL20171719

C=C(C)C(=O)OCCCc1cc(-c2ccc(C3CCC(C4CCC(CCCCC)CC4)CC3)cc2CC)cc(CCCOC(=O)C(=C)C)c1OCCCS

nearest known ligand 0.33

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
SCHEMBL20171682 0.94 TSHR (0.33) TSHR
SCHEMBL20171770 0.93 TSHR (0.32) TSHR
SCHEMBL17070487 0.91 TSHR (0.34) TSHR
SCHEMBL20171729 0.91 TSHR (0.37) TSHR
SCHEMBL22666194 0.91 TSHR (0.31) TSHR
SCHEMBL22666201 0.91 TSHR (0.31) TSHR
SCHEMBL18645719 0.90 TSHR (0.30) TSHR
SCHEMBL18645718 0.90 TSHR (0.30) TSHR
SCHEMBL22666197 0.90 TSHR (0.32) TSHR
SCHEMBL22666192 0.89

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
EP-3323872-B1 COMPOUNDS FOR HOMOTROPIC ALIGNMENT OF LIQUID CRYSTAL MEDIA MERCK PATENT GMBH (DE) 2020-04-15 EP disclosed
US-20180142152-A1 COMPOUNDS FOR THE HOMEOTROPIC ALIGNMENT OF LIQUID-CRYSTALLINE MEDIA MERCK PATENT GMBH (DE) 2018-05-24 US disclosed
US-20180142152-A1 COMPOUNDS FOR THE HOMEOTROPIC ALIGNMENT OF LIQUID-CRYSTALLINE MEDIA MERCK PATENT GMBH (DE) 2018-05-24 US disclosed
EP-3323872-A1 COMPOUNDS FOR HOMOTROPIC ALIGNMENT OF LIQUID CRYSTAL MEDIA Merck Patent GmbH (DE) 2018-05-23 EP disclosed