SCHEMBL69585

SCHEMBL69585

O=[N+]([O-])c1cc(Cc2ccc(O)c([N+](=O)[O-])c2)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.62
MAPK1 P28482 2/20 0.60
ALDH1A1 P00352 2/20 0.60
TP53 P04637 1/20 0.60
HPGD P15428 1/20 0.60
TSHR P16473 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
GPR35 Q9HC97 1/20 0.60
POLB P06746 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.58
ALOX15 P16050 1/20 0.58
HSD17B10 Q99714 1/20 0.58
MAPT P10636 4/20 0.58
NPSR1 Q6W5P4 1/20 0.58
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
ALDH5A1 P51649 1/20 0.55
ABAT P80404 1/20 0.55
CA12 O43570 1/20 0.55
CA9 Q16790 1/20 0.55

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
SCHEMBL30477507 1.00 SNCA (0.62) SNCAMAPK1ALDH1A1TP53HPGD
SCHEMBL1601110 0.91 IDH1 (0.58) SNCAMAPK1ALDH1A1TP53HPGD
SCHEMBL11002820 0.88 MAPK1 (0.60) SNCAMAPK1ALDH1A1TP53HPGD
SCHEMBL1736272 0.86 POLB (0.62) SNCAMAPK1ALDH1A1TP53HPGD
SCHEMBL3529585 0.85 POLB (0.56) SNCAMAPK1ALDH1A1TP53HPGD
SCHEMBL1025776 0.85 POLB (0.56) SNCAMAPK1ALDH1A1TP53HPGD
SCHEMBL532173 0.85 POLB (0.56) SNCAMAPK1ALDH1A1TP53HPGD
SCHEMBL346032 0.85 POLB (0.65) SNCAMAPK1ALDH1A1TP53HPGD
SCHEMBL9198508 0.84 SNCA (0.62) SNCAMAPK1ALDH1A1TP53HPGD
SCHEMBL7109573 0.83 SNCA (0.47) SNCAMAPK1ALDH1A1TP53HPGD

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 1674 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660560-B1 PHASE TRANSFER CATALYZED METHOD FOR PREPARATION OF POLYETEHRIMIDES SABIC GLOBAL TECHNOLOGIES BV (NL) 2016-03-23 EP claimed
EP-2649111-A1 ISOSORBIDE-CONTAINING POLYCARBONATES AND THEIR PREPARATION SABIC Innovative Plastics IP B.V. (NL) 2013-10-16 EP claimed
EP-1581594-B1 POLYCARBONATE MOLDING COMPOSITIONS AND ARTICLES WITH IMPROVED SURFACE AESTHETICS SABIC INNOVATIVE PLASTICS IP (NL) 2013-03-27 EP claimed
US-8372943-B2 Isosorbide—containing polycarbonates and their preparation SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2013-02-12 US claimed
US-8222347-B2 Polyester-polycarbonate compositions SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2012-07-17 US claimed
US-20120149863-A1 ISOSORBIDE - CONTAINING POLYCARBONATES AND THEIR PREPARATION SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2012-06-14 US claimed
WO-2012078825-A1 ISOSORBIDE-CONTAINING POLYCARBONATES AND THEIR PREPARATION SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2012-06-14 WO claimed
JP-4768635-B2 2011-09-07 JP claimed
EP-1546249-B1 FLAME RETARDANT RESINOUS COMPOSITIONS AND METHOD SABIC INNOVATIVE PLASTICS IP (NL) 2011-03-16 EP claimed
EP-2097482-B1 NEW POLYESTER-POLYCARBONATE BLENDS SABIC INNOVATIVE PLASTICS IP (NL) 2010-09-29 EP claimed
US-20030109650-A1 Flame retardant resinous compositions and method GENERAL ELECTRIC COMPANY 2003-06-12 US claimed
WO-2003042305-A1 FLAME RETARDANT RESINOUS COMPOSITIONS AND METHOD OF MAKING THE SAME GENERAL ELECTRIC COMPANY (A NEW YORK CORPORATION) (US) 2003-05-22 WO claimed
WO-2003042303-A1 FLAME RETARDANT RESINOUS COMPOSITIONS AND METHOD GENERAL ELECTRIC COMPANY (A NEW YORK CORPORATION) (US) 2003-05-22 WO claimed
US-6552158-B1 Optical disks with polycarbonate protective layer which is a copolymer of a bis(hydroxyaryl)cyclohexane and an aromatic dihydroxy compound; heat resistance; high density optical data storage and recordable media GENERAL ELECTRIC COMPANY 2003-04-22 US claimed
US-6544795-B1 Fluorescence detection GENERAL ELECTRIC COMPANY 2003-04-08 US claimed
US-5777064-A TRANSESTERIFICATION; MELTING; KNEADING ACIDIC COMPOUND INTO MOLTEN POLYCARBONATE TO CONTINUOUSLY DEVOLATILIZE LOW MOLECULAR WEIGHT COMPOUNDS REMAINING IN POLYMER MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1998-07-07 US claimed
WO-1998017725-A1 1,4-CYCLOHEXANEDIMETHANOL BASED POLYESTER BLENDS EASTMAN CHEMICAL COMPANY (US) 1998-04-30 WO claimed
EP-0738579-A2 Production method of polycarbonate MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1996-10-23 EP claimed
US-5552463-A Semicrystalline blends of polyalkylene terephthalates and polyarylates ALLIEDSIGNAL INC. (US) 1996-09-03 US claimed
US-4463163-A Polycarbonate from 4,4'-bis (4-hydroxyphenyl thio)biphenyls MOBAY CHEMICAL CORPORATION (US) 1984-07-31 US claimed