SCHEMBL20288237

SCHEMBL20288237

C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccc(C)cc3)cc2CC)cc(CCCOC(=O)C(=C)C)c1OCCC(CO)(CO)CCCC

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
IDO1 P14902 5/20 0.32
CYP2C9 P11712 1/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 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
SCHEMBL21097804 1.00 TSHR (0.33) TSHRIDO1CYP2C9POLBAPEX1
SCHEMBL21098568 0.98 TSHR (0.33) TSHRIDO1POLBAPEX1HTT
SCHEMBL21097803 0.96 IDO1 (0.33) TSHRIDO1CYP2C9POLBAPEX1
SCHEMBL21097851 0.96 IDO1 (0.33) TSHRIDO1CYP2C9POLBAPEX1
SCHEMBL21115754 0.95 S1PR1 (0.32) TSHRIDO1
SCHEMBL21098573 0.94 TSHR (0.32) TSHRIDO1POLBAPEX1HTT
SCHEMBL21115667 0.93 TSHR (0.33) TSHRIDO1POLBAPEX1HTT
SCHEMBL17070530 0.93 TSHR (0.33) TSHRIDO1POLBAPEX1HTT
SCHEMBL21097855 0.93 IDO1 (0.32) TSHRIDO1CYP2C9POLBAPEX1
SCHEMBL21097802 0.93 IDO1 (0.32) TSHRIDO1CYP2C9POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11781069-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2023-10-10 US disclosed
US-11214736-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2022-01-04 US disclosed
US-11072742-B2 Liquid-crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2021-07-27 US disclosed
US-20190185748-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2019-06-20 US disclosed
US-20190185754-A1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2019-06-20 US disclosed
US-20180171231-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-06-21 US disclosed