SCHEMBL6025296

SCHEMBL6025296

CCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC.OB(O)Oc1cccc2ccc3cc4ccccc4cc3c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.34
KCNH2 Q12809 3/20 0.33
MCHR1 Q99705 2/20 0.33
CNR1 P21554 2/20 0.33
NR1I2 O75469 2/20 0.33
CHRM2 P08172 2/20 0.33
ADRA2A P08913 2/20 0.33
OPRK1 P41145 2/20 0.33
HTR2B P41595 2/20 0.33
SLC6A3 Q01959 2/20 0.33
MLNR O43193 1/20 0.33
ESR1 P03372 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR1A P08908 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD2 P14416 1/20 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
SCHEMBL8395213 1.00 CETP (0.34) CETPKCNH2MCHR1CNR1NR1I2
Tetrabuthylammonium SCHEMBL4239923 0.96 KCNH2 (0.33) CETPKCNH2MCHR1CNR1MAOA
Tributylmethylammonium SCHEMBL910632 0.88 KCNH2 (0.35) CETPKCNH2MAOACNR2HTR1B
SCHEMBL911055 0.88 TACR1 (0.33) KCNH2SMN1; SMN2MAPK1HTTMEN1
Tetrylammonium SCHEMBL911188 0.87 CHRNB4 (0.33) KCNH2CHRM2CHRM1MAOALMNA
SCHEMBL19837681 0.86 HTR1B (0.38) CETPCHRM2KMT2AHTR1B
SCHEMBL19837673 0.86 HTR1B (0.38) CETPCHRM2KMT2AHTR1B
SCHEMBL18632612 0.86 KCNH2 (0.34) CETPKCNH2MCHR1MAOACNR2
Butylamine SCHEMBL8463894 0.86 HTR1B (0.40) CETPKCNH2MCHR1NR1I2CHRM2
Hydrogen Sulfide SCHEMBL17372873 0.85 CYP1A2 (0.40) PGRMAOACYP3A4SMN1; SMN2MAPT

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1488277-A4 SWITCHABLE ELECTRO-OPTICAL LAMINATES AVERY DENNISON CORP (US) 2006-08-16 EP claimed
US-6963435-B2 Switchable electro-optical laminates AVERY DENNISON CORPORATION (US) 2005-11-08 US claimed
US-20050083564-A1 Switchable electro-optical laminates MALLYA PRAKASH (US) 2005-04-21 US claimed
EP-1488277-A2 SWITCHABLE ELECTRO-OPTICAL LAMINATES AVERY DENNISON CORPORATION (US) 2004-12-22 EP claimed
US-20030193709-A1 Switchable electro-optical laminates AVERY DENNISON CORPORATION 2003-10-16 US claimed
WO-2003083523-A2 SWITCHABLE ELECTRO-OPTICAL LAMINATES AVERY DENNISON CORPORATION (US) 2003-10-09 WO claimed
EP-1488277-A4 SWITCHABLE ELECTRO-OPTICAL LAMINATES AVERY DENNISON CORP (US) 2006-08-16 EP disclosed
US-7023600-B2 Switchable electro-optical laminates AVERY DENNISON CORPORATION (US) 2006-04-04 US disclosed
US-6963435-B2 Switchable electro-optical laminates AVERY DENNISON CORPORATION (US) 2005-11-08 US disclosed
US-20050083564-A1 Switchable electro-optical laminates MALLYA PRAKASH (US) 2005-04-21 US disclosed
EP-1488277-A2 SWITCHABLE ELECTRO-OPTICAL LAMINATES AVERY DENNISON CORPORATION (US) 2004-12-22 EP disclosed
US-20030193709-A1 Switchable electro-optical laminates AVERY DENNISON CORPORATION 2003-10-16 US disclosed
WO-2003083523-A2 SWITCHABLE ELECTRO-OPTICAL LAMINATES AVERY DENNISON CORPORATION (US) 2003-10-09 WO disclosed