SCHEMBL21115526

SCHEMBL21115526

C=C(C)C(=O)OCCCc1cc(C2CCC(C3CCCCC3)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
SCHEMBL21098618 0.96 TSHR (0.34) TSHR
SCHEMBL21097792 0.94 TSHR (0.32) TSHR
SCHEMBL21097809 0.94 TSHR (0.32) TSHR
SCHEMBL21115700 0.94 TSHR (0.31) TSHR
SCHEMBL21115982 0.94 TSHR (0.31) TSHR
SCHEMBL20171700 0.92 TSHR (0.34) TSHR
SCHEMBL20171758 0.92 TSHR (0.34) TSHR
SCHEMBL21115524 0.91 TSHR (0.36) TSHR
SCHEMBL21097793 0.90 TSHR (0.33) TSHR
SCHEMBL21097860 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11254872-B2 Liquid crystal media comprising polymerisable compounds MERCK PATENT GMBH (DE) 2022-02-22 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