SCHEMBL21097809

SCHEMBL21097809

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

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
SCHEMBL21097792 1.00 TSHR (0.32) TSHR
SCHEMBL21097860 0.96 TSHR (0.33) TSHR
SCHEMBL21097793 0.96 TSHR (0.33) TSHR
SCHEMBL21115526 0.94 TSHR (0.32) TSHR
SCHEMBL21097791 0.94 TSHR (0.30) TSHR
SCHEMBL21097807 0.94 TSHR (0.30) TSHR
SCHEMBL21097816 0.92 CNR1 (0.35)
SCHEMBL20171700 0.91 TSHR (0.34) TSHR
SCHEMBL20171758 0.91 TSHR (0.34) TSHR
SCHEMBL21098020 0.91

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
US-11072742-B2 Liquid-crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2021-07-27 US disclosed
EP-3502209-B1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2020-10-14 EP disclosed
EP-3502209-A1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT Merck Patent GmbH (DE) 2019-06-26 EP disclosed
US-20190185754-A1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2019-06-20 US disclosed