SCHEMBL21097808

SCHEMBL21097808

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

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL21098012 1.00 POLB (0.31) POLBAPEX1HTTTDP1
SCHEMBL21115606 0.94 POLB (0.31) POLBAPEX1HTTTDP1
SCHEMBL21115776 0.92 CNR1 (0.33) POLBAPEX1HTTTDP1
SCHEMBL21115963 0.90
SCHEMBL21097764 0.90 CA1 (0.33) POLBAPEX1HTTTDP1
SCHEMBL21115604 0.89 CNR1 (0.35) POLBAPEX1HTTTDP1
SCHEMBL21098604 0.89 CNR1 (0.35) POLBAPEX1HTTTDP1
SCHEMBL20162025 0.88 TSHR (0.35)
SCHEMBL20171736 0.88 TSHR (0.35)
SCHEMBL21115605 0.87 TSHR (0.36)

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