SCHEMBL18645733

SCHEMBL18645733

C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccc(-c4ccc(CCCCC)cc4)c(CC)c3)cc2CC)cc(CCCOC(=O)C(=C)C)c1OCCC(CC)(CO)CO

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
S1PR1 P21453 8/20 0.35
TSHR P16473 2/20 0.35
RARB P10826 5/20 0.34
S1PR3 Q99500 6/20 0.33
TNNC1 P63316 5/20 0.32
S1PR4 O95977 4/20 0.32
S1PR5 Q9H228 4/20 0.32
SGPL1 O95470 1/20 0.32
GPR183 P32249 1/20 0.32
CERS2 Q96G23 1/20 0.32
RARA P10276 1/20 0.32
RARG P13631 1/20 0.32
S1PR2 O95136 2/20 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
SCHEMBL22540593 0.99 S1PR1 (0.36) THRATHRBS1PR1TSHRRARB
SCHEMBL17070469 0.99 S1PR1 (0.36) THRATHRBS1PR1TSHRRARB
SCHEMBL21115787 0.98 THRA (0.37) THRATHRBS1PR1TSHRRARB
SCHEMBL17070479 0.96 THRB (0.35) THRATHRBS1PR1TSHRRARB
SCHEMBL17070526 0.96 POLB (0.31) S1PR1TSHRS1PR3
SCHEMBL17070422 0.95 S1PR1 (0.37) THRATHRBS1PR1TSHRRARB
SCHEMBL18645732 0.95 THRA (0.36) THRATHRBS1PR1TSHRRARB
SCHEMBL18645734 0.95 THRA (0.36) THRATHRBS1PR1TSHRRARB
SCHEMBL22540579 0.94 THRA (0.35) THRATHRBS1PR1TSHRRARB
SCHEMBL17070473 0.94 THRA (0.35) THRATHRBS1PR1TSHRRARB

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