SCHEMBL18645795

SCHEMBL18645795

C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccc(-c4ccc(CCCCC)cc4)cc3F)cc2CC)cc(CCCOC(=O)C(=C)C)c1OCCC(CO)(CO)CCC

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.39
RARA P10276 2/20 0.37
RARG P13631 1/20 0.37
S1PR1 P21453 6/20 0.36
S1PR3 Q99500 2/20 0.36
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
TSHR P16473 2/20 0.31
IDO1 P14902 1/20 0.31
PPARD Q03181 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
SCHEMBL18645796 0.97 RARB (0.39) RARBRARARARGS1PR1S1PR3
SCHEMBL21232076 0.97 RARB (0.37) RARBRARARARGS1PR1S1PR3
SCHEMBL18645797 0.96 RARB (0.39) RARBRARARARGS1PR1S1PR3
SCHEMBL18645720 0.95 RARB (0.38) RARBRARARARGS1PR1S1PR3
SCHEMBL17070473 0.95 THRA (0.35) RARBRARARARGS1PR1S1PR3
SCHEMBL22068223 0.94 RARB (0.37) RARBRARARARGS1PR1S1PR3
SCHEMBL21231989 0.94 RARB (0.37) RARBRARARARGS1PR1S1PR3
SCHEMBL21115795 0.94 THRA (0.37) RARBRARARARGS1PR1S1PR3
SCHEMBL18645732 0.94 THRA (0.36) RARBRARARARGS1PR1S1PR3
SCHEMBL21115553 0.93 THRA (0.35) RARBRARARARGS1PR1S1PR3

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-20230265344-A1 POLYMERISABLE LIQUID CRYSTAL MATERIAL AND POLYMERISED LIQUID CRYSTAL FILM MERCK PATENT GMBH (DE) 2023-08-24 US disclosed
US-20230265344-A1 POLYMERISABLE LIQUID CRYSTAL MATERIAL AND POLYMERISED LIQUID CRYSTAL FILM MERCK PATENT GMBH (DE) 2023-08-24 US disclosed
US-11214736-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2022-01-04 US disclosed
US-20180171231-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-06-21 US disclosed
US-20180171231-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-06-21 US disclosed
WO-2017041893-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2017-03-16 WO disclosed