SCHEMBL1123092

SCHEMBL1123092

CCCCCC(OC(CCCCC)c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 2/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 3/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RECQL P46063 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GSR P00390 1/20 0.38
TXNRD1 Q16881 1/20 0.38
MEN1 O00255 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL3191410 0.99 ALDH1A1 (0.44) ALDH1A1L3MBTL1CYP1A2TSHRKMT2A
SCHEMBL28529420 0.99 ALDH1A1 (0.44) ALDH1A1L3MBTL1CYP1A2TSHRKMT2A
SCHEMBL8579304 0.99 ALDH1A1 (0.44) ALDH1A1L3MBTL1CYP1A2TSHRKMT2A
Tetradecane SCHEMBL9443244 0.99 ALDH1A1 (0.44) ALDH1A1L3MBTL1CYP1A2TSHRKMT2A
SCHEMBL139471 0.99 ALDH1A1 (0.44) ALDH1A1L3MBTL1CYP1A2TSHRKMT2A
SCHEMBL8580651 0.99 ALDH1A1 (0.44) ALDH1A1L3MBTL1CYP1A2TSHRKMT2A
SCHEMBL17966113 0.99 ALDH1A1 (0.44) ALDH1A1L3MBTL1CYP1A2TSHRKMT2A
SCHEMBL620127 0.95 ALDH1A1 (0.47) ALDH1A1L3MBTL1CYP1A2TSHRKMT2A
SCHEMBL7564168 0.89 ALDH1A1 (0.49) ALDH1A1L3MBTL1CYP1A2TSHRKMT2A
SCHEMBL1123533 0.82 ALDH1A1 (0.48) ALDH1A1L3MBTL1CYP1A2TSHRKMT2A

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1455919-B1 IODINE EXTRACTION METHOD COMMISSARIAT ENERGIE ATOMIQUE (FR) 2011-02-09 EP claimed
EP-1455919-A1 IODINE EXTRACTION METHOD COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2004-09-15 EP claimed
WO-2003047716-A1 IODINE EXTRACTION METHOD COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2003-06-12 WO claimed
EP-1017480-B1 METHOD FOR SEPARATING ACTINIDES AND LANTHANIDES BY MEMBRANE TRANSPORT USING A CALIXARENE COMMISSARIAT ENERGIE ATOMIQUE (FR) 2002-10-23 EP claimed
US-6306355-B1 CONTACTING FIRST AQUEOUS SOLUTION WITH ONE OF SIDES OF MICROPOROUS MEMBRANE BEARING IMMISCIBLE ORGANIC PHASE CONTAINING CALIXARENE; OTHER SIDE OF MEMBRANE IS CONTACTED WITH AQUEOUS RE-EXTRACTION SOLUTION TO TRANSFER METALS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2001-10-23 US claimed
EP-1455919-B1 IODINE EXTRACTION METHOD COMMISSARIAT ENERGIE ATOMIQUE (FR) 2011-02-09 EP disclosed
EP-1455919-A1 IODINE EXTRACTION METHOD COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2004-09-15 EP disclosed
US-6657081-B1 Extraction of actinides and lanthanides from aqueous solutions COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2003-12-02 US disclosed
US-6630114-B1 From spent nuclear fuels COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2003-10-07 US disclosed
WO-2003047716-A1 IODINE EXTRACTION METHOD COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2003-06-12 WO disclosed
EP-1133501-B1 CALIXARENE DERIVATIVES COMMISSARIAT ENERGIE ATOMIQUE (FR) 2003-02-12 EP disclosed
EP-1144422-B1 CALIXARENE DERIVATIVES FOR EXTRACTING ACTINIDES COMMISSARIAT ENERGIE ATOMIQUE (FR) 2002-11-20 EP disclosed
WO-1998039321-A1 CROWN CALIX[4]ARENES, METHOD OF PREPARATION AND USE FOR SELECTIVE EXTRACTION OF CAESIUM COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1998-09-11 WO disclosed
WO-1998010852-A1 SUPPORTED LIQUID MEMBRANE SEPARATION COMMODORE SEPARATION TECHNOLOGIES, INC. (US) 1998-03-19 WO disclosed
EP-0807117-A1 CALIXARENE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF FOR REMOVING ACTINIDES AND LANTHANIDES COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1997-11-19 EP disclosed
WO-1997040904-A1 SUPPORTED LIQUID MEMBRANE SEPARATION COMMODORE SEPARATION TECHNOLOGIES, INC. (US) 1997-11-06 WO disclosed
WO-1996023800-A1 CALIXARENE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF FOR REMOVING ACTINIDES AND LANTHANIDES COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1996-08-08 WO disclosed
EP-0695304-A1 CALIX 4 ARENE CROWN ETHERS, METHOD FOR PREPARING SAME, AND USE THEREOF FOR THE SELECTIVE EXTRACTION OF CAESIUM AND ACTINIDES COMMISSARIAT ENERGIE ATOMIQUE (FR) 1996-02-07 EP disclosed
WO-1995017409-A1 DIPHOSPHINE DIOXIDES FOR REMOVING ACTINIDES AND PHOSPHONIUM DISALTS FOR PREPARING SAME COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1995-06-29 WO disclosed
WO-1994024138-A1 CALIX|4|ARENE CROWN ETHERS, METHOD FOR PREPARING SAME, AND USE THEREOF FOR THE SELECTIVE EXTRACTION OF CAESIUM AND ACTINIDES COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1994-10-27 WO disclosed