SCHEMBL20171773

SCHEMBL20171773

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

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33

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
SCHEMBL20171712 1.00 TSHR (0.33) TSHR
SCHEMBL20162025 0.96 TSHR (0.35) TSHR
SCHEMBL20171736 0.96 TSHR (0.35) TSHR
SCHEMBL21890757 0.95 TSHR (0.30) TSHR
SCHEMBL21115605 0.95 TSHR (0.36) TSHR
SCHEMBL20171772 0.94
SCHEMBL20171703 0.93 TSHR (0.35) TSHR
SCHEMBL20171679 0.93 TSHR (0.35) TSHR
SCHEMBL20171732 0.91 TSHR (0.36) TSHR
SCHEMBL20171704 0.90 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 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