SCHEMBL18645809

SCHEMBL18645809

C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccc(-c4ccc(CCCCC)cc4)cc3)cc2CC)ccc1OCCC(CO)(CO)CCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 0.36
HTT P42858 3/20 0.35
MAPT P10636 3/20 0.35
MAPK1 P28482 2/20 0.35
APAF1 O14727 2/20 0.35
THRB P10828 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RAD52 P43351 2/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
S1PR1 P21453 4/20 0.35
TSHR P16473 2/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
PTPN11 Q06124 1/20 0.34
RARB P10826 5/20 0.33

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
SCHEMBL17070509 1.00 CNR2 (0.36) CNR2CNR1HTTMAPTMAPK1
SCHEMBL18646511 0.99 CNR2 (0.36) CNR2CNR1HTTMAPTMAPK1
SCHEMBL18645803 0.97 CNR2 (0.36) CNR2CNR1HTTMAPTMAPK1
SCHEMBL17070500 0.97 CNR2 (0.36) CNR2CNR1HTTMAPTMAPK1
SCHEMBL18646506 0.96 CNR2 (0.36) CNR2CNR1HTTMAPTMAPK1
SCHEMBL18646515 0.96 CNR2 (0.36) CNR2CNR1HTTMAPTMAPK1
SCHEMBL18647004 0.96 RARB (0.39) CNR2CNR1HTTMAPTMAPK1
SCHEMBL18645808 0.95 S1PR1 (0.36) CNR2CNR1HTTMAPTMAPK1
SCHEMBL17070502 0.95 S1PR1 (0.36) CNR2CNR1HTTMAPTMAPK1
SCHEMBL18646495 0.95 CNR2 (0.37) CNR2CNR1HTTMAPTMAPK1

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