SCHEMBL713324

SCHEMBL713324

C=C(C)C(=O)OCCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
KCNH2 Q12809 6/20 0.54
POLB P06746 2/20 0.53
APEX1 P27695 1/20 0.53
HTT P42858 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
GAA P10253 2/20 0.53
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
MAOB P27338 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 2/20 0.47

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
SCHEMBL5068525 0.90 TDP1 (0.57) MAPTKCNH2POLBAPEX1HTT
SCHEMBL9332678 0.88 POLB (0.61) MAPTKCNH2POLBAPEX1HTT
SCHEMBL454606 0.86 POLB (0.67) MAPTPOLBAPEX1HTTTDP1
SCHEMBL13445479 0.86 HTR2A (0.52) MAPTKCNH2POLBAPEX1HTT
SCHEMBL9503017 0.86 POLB (0.52) MAPTKCNH2POLBAPEX1HTT
SCHEMBL9133114 0.86 PTGS2 (0.56) MAPTPOLBAPEX1HTTTDP1
SCHEMBL8897411 0.85 HTT (0.57) MAPTPOLBAPEX1HTTTDP1
SCHEMBL9499693 0.85 TDP1 (0.57) MAPTKCNH2POLBAPEX1HTT
SCHEMBL10333121 0.85 HTT (0.57) MAPTPOLBAPEX1HTTTDP1
SCHEMBL8897407 0.85 HTT (0.57) MAPTPOLBAPEX1HTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802726-B1 PHOTOCHROMIC COMPOUNDS COMPRISING POLYMERIC SUBSTITUENTS AND METHODS FOR PREPARATION AND USE THEREOF ADVANCED POLYMERIK PTY LTD (AU) 2011-11-30 EP claimed
CN-101087862-B Photochromic compounds comprising polymeric substituents, process for their preparation and their use POLYMERS AUSTRALIA PTY LTD 2011-10-26 CN claimed
US-20090093601-A1 Photochromic Compounds Comprising Polymeric Substituents And Methods For Preparation And Use Thereof POLYMERS AUSTRALIA PTY LIMITED (AU) 2009-04-09 US claimed
EP-1802726-A4 PHOTOCHROMIC COMPOUNDS COMPRISING POLYMERIC SUBSTITUENTS AND METHODS FOR PREPARATION AND USE THEREOF POLYMERS AUSTRALIA PTY LTD (AU) 2008-04-30 EP claimed
CN-101087862-A Photochromic compounds comprising polymeric substituents, process for their preparation and their use POLYMERS AUSTRALIA PTY LTD (AU) 2007-12-12 CN claimed
EP-1802726-A1 PHOTOCHROMIC COMPOUNDS COMPRISING POLYMERIC SUBSTITUENTS AND METHODS FOR PREPARATION AND USE THEREOF Polymers Australia PTY Limited (AU) 2007-07-04 EP claimed
WO-2006024099-A1 PHOTOCHROMIC COMPOUNDS COMPRISING POLYMERIC SUBSTITUENTS AND METHODS FOR PREPARATION AND USE THEREOF POLYMERS AUSTRALIA PTY LIMITED (AU) 2006-03-09 WO claimed
CN-111533668-A Cyanostilbenes 罗利克技术有限公司 2020-08-14 CN disclosed
CN-105567260-A Print Functionalized photoreactive compounds ROLIC AG 2016-05-11 CN disclosed
CN-101268168-B Functionalized photoreactive compounds ROLIC AG (CH) 2016-01-20 CN disclosed
US-8795782-B2 Polymeric coatings and methods for forming them COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2014-08-05 US disclosed
CN-101528876-B Polymeric coatings and methods for forming them COMMW SCIENT IND RES ORG 2012-08-15 CN disclosed
US-20120178165-A1 POLYMERIC COATINGS AND METHODS FOR FORMING THEM COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2012-07-12 US disclosed
EP-1740628-A4 PHOTOCHROMIC COMPOSITIONS AND ARTICLES COMPRISING POLYETHER OLIGOMER POLYMERS AUSTRALIA PTY LTD (AU) 2007-05-30 EP disclosed
EP-1764405-A1 Functionalized photoreactive compounds Rolic AG (CH) 2007-03-21 EP disclosed
EP-1740628-A1 PHOTOCHROMIC COMPOSITIONS AND ARTICLES COMPRISING POLYETHER OLIGOMER Polymers Australia PTY Limited (AU) 2007-01-10 EP disclosed
EP-1740629-A1 PHOTOCHROMIC COMPOSITIONS AND ARTICLES COMPRISING SILOXANE, ALKYLENE OR SUBSTITUTED ALKYLENE OLIGOMERS Polymers Australia PTY Limited (AU) 2007-01-10 EP disclosed
WO-2006024099-A1 PHOTOCHROMIC COMPOUNDS COMPRISING POLYMERIC SUBSTITUENTS AND METHODS FOR PREPARATION AND USE THEREOF POLYMERS AUSTRALIA PTY LIMITED (AU) 2006-03-09 WO disclosed
WO-2005105875-A1 PHOTOCHROMIC COMPOSITIONS AND ARTICLES COMPRISING SILOXANE, ALKYLENE OR SUBSTITUTED ALKYLENE OLIGOMERS POLYMERS AUSTRALIA PTY LIMITED (AU) 2005-11-10 WO disclosed
WO-2005105874-A1 PHOTOCHROMIC COMPOSITIONS AND ARTICLES COMPRISING POLYETHER OLIGOMER POLYMERS AUSTRALIA PTY LIMITED (AU) 2005-11-10 WO disclosed