SCHEMBL18645720

SCHEMBL18645720

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.38
RARA P10276 1/20 0.35
RARG P13631 1/20 0.35
S1PR1 P21453 5/20 0.34
S1PR3 Q99500 2/20 0.34
FFAR1 O14842 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 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
SCHEMBL18645795 0.95 RARB (0.39) RARBRARARARGS1PR1S1PR3
SCHEMBL18645796 0.95 RARB (0.39) RARBRARARARGS1PR1S1PR3
SCHEMBL17070472 0.95 THRA (0.34) RARBRARARARGS1PR1S1PR3
SCHEMBL18646404 0.94 THRA (0.34) RARBRARARARGS1PR1S1PR3
SCHEMBL18645797 0.94 RARB (0.39) RARBRARARARGS1PR1S1PR3
SCHEMBL18647015 0.93 RARB (0.38) RARBRARARARGS1PR1S1PR3
SCHEMBL22068223 0.92 RARB (0.37) RARBRARARARGS1PR1S1PR3
SCHEMBL21231989 0.92 RARB (0.37) RARBRARARARGS1PR1S1PR3
SCHEMBL21232076 0.92 RARB (0.37) RARBRARARARGS1PR1S1PR3
SCHEMBL17070529 0.92 POLB (0.30)

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