SCHEMBL20171744

SCHEMBL20171744

C=C(C)C(=O)OCCCc1cc(C2CCC(C3CCC(CCCCC)CC3)CC2)ccc1OCCC(CO)(CO)CC(CC)CCCC

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.31
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
SCHEMBL20171765 0.96 PPARG (0.31) PPARG
SCHEMBL20171674 0.91 TSHR (0.33) PPARGTSHR
SCHEMBL20171717 0.91 TSHR (0.33) PPARGTSHR
SCHEMBL20171748 0.91 TSHR (0.33) PPARGTSHR
SCHEMBL20171710 0.91 TSHR (0.31) TSHR
SCHEMBL20171763 0.91 TSHR (0.31) TSHR
SCHEMBL20171730 0.89 TSHR (0.31) PPARGTSHR
SCHEMBL20171762 0.89 TSHR (0.33) PPARGTSHR
SCHEMBL20171654 0.88 PPARG (0.32) PPARGTSHR
SCHEMBL22592268 0.88 TSHR (0.33) PPARGTSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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