SCHEMBL18646404

SCHEMBL18646404

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
TSHR P16473 2/20 0.33
RARB P10826 5/20 0.33
S1PR1 P21453 4/20 0.32
TNNC1 P63316 5/20 0.31
S1PR3 Q99500 2/20 0.31
SGPL1 O95470 1/20 0.31
S1PR4 O95977 1/20 0.31
GPR183 P32249 1/20 0.31
CERS2 Q96G23 1/20 0.31
S1PR5 Q9H228 1/20 0.31
RARA P10276 1/20 0.30
RARG P13631 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
SCHEMBL17070472 0.99 THRA (0.34) THRATHRBTSHRRARBS1PR1
SCHEMBL17070484 0.96 THRA (0.34) THRATHRBTSHRRARBS1PR1
SCHEMBL17070529 0.96 POLB (0.30)
SCHEMBL18645732 0.94 THRA (0.36) THRATHRBTSHRRARBS1PR1
SCHEMBL18645734 0.94 THRA (0.36) THRATHRBTSHRRARBS1PR1
SCHEMBL18645720 0.94 RARB (0.38) THRATHRBRARBS1PR1S1PR3
SCHEMBL17070473 0.94 THRA (0.35) THRATHRBTSHRRARBS1PR1
SCHEMBL17070471 0.94 THRA (0.35) THRATHRBTSHRRARBS1PR1
SCHEMBL22540579 0.94 THRA (0.35) THRATHRBTSHRRARBS1PR1
SCHEMBL21115965 0.93 THRA (0.37) THRATHRBTSHRRARBS1PR1

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