SCHEMBL8214082

SCHEMBL8214082

O=[N+]([O-])c1cc(CO)cc([N+](=O)[O-])c1CO

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPT P10636 1/20 0.44
SNCA P37840 2/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TTR P02766 1/20 0.38
GPR35 Q9HC97 4/20 0.38
ACHE P22303 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL1372762 0.87 GPR35 (0.40) ALDH1A1MAPTPOLBGPR35TSHR
SCHEMBL6810374 0.86 ALDH1A1 (0.41) ALDH1A1MAPTSNCAPOLBKDM4E
SCHEMBL9812448 0.83 GPR35 (0.57) ALDH1A1MAPTKDM4ETTRGPR35
SCHEMBL8744302 0.83 ALDH1A1 (0.53) ALDH1A1MAPTPOLBKDM4ETTR
SCHEMBL6810751 0.81 ALDH1A1 (0.43) ALDH1A1MAPTSNCAPOLBKDM4E
SCHEMBL1667914 0.81 ALDH1A1 (0.50) ALDH1A1MAPTSNCAPOLBKDM4E
SCHEMBL9098889 0.81 GPR35 (0.61) ALDH1A1MAPTPOLBKDM4EGPR35
SCHEMBL11566427 0.81 GPR35 (0.52) ALDH1A1MAPTSNCAPOLBGPR35
SCHEMBL6918424 0.79 MAPT (0.37) ALDH1A1MAPTSNCAPOLBKDM4E
SCHEMBL8848416 0.78 TTR (0.58) ALDH1A1MAPTKDM4ETTRGPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6100008-A POSITIVE ACTING PHOTORESIST COMPRISES ATLEAST ONE POSITIVE ACTING PHOTOACTIVE POLYMERIC COMPOUND CONTAINING 2,6 OR 2,5 DINITRO SUBSTITUTED BENZENE COMPOUND AND A DIMETHYL ANILINE COMPOUND PPG INDUSTRIES OHIO, INC. (US) 2000-08-08 US disclosed
EP-0770053-B1 POSITIVE PHOTOACTIVE COMPOUNDS BASED ON 2,6-DINITROBENZYL GROUPS PPG IND OHIO INC (US) 1999-08-18 EP disclosed
US-5733479-A ELECTRODEPOSITION PHOTORESISTS PPG INDUSTRIES, INC. (US) 1998-03-31 US disclosed
EP-0770053-A1 POSITIVE PHOTOACTIVE COMPOUNDS BASED ON 2,6-DINITROBENZYL GROUPS PPG INDUSTRIES, INC. (US) 1997-05-02 EP disclosed
US-5600035-A PHOTORESISTS; POLYMER MONOMERS PPG INDUSTRIES, INC. (US) 1997-02-04 US disclosed
US-5489714-A Method of synthesizing 2,6-dinitro benzyl compounds PPG INDUSTRIES, INC. (US) 1996-02-06 US disclosed
WO-1996002491-A1 POSITIVE PHOTOACTIVE COMPOUNDS BASED ON 2,6-DINITROBENZYL GROUPS PPG INDUSTRIES, INC. (US) 1996-02-01 WO disclosed
US-5449834-A Method of synthesizing 2,6-dinitro benzyl compounds PPG INDUSTRIES, INC. (US) 1995-09-12 US disclosed