SCHEMBL819944

SCHEMBL819944

C=C(C(=O)O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.64
CES1 P23141 2/20 0.61
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
SRD5A2 P31213 2/20 0.58
CES2 O00748 1/20 0.58
MAPK1 P28482 2/20 0.57
TSHR P16473 1/20 0.57
ALDH1A1 P00352 1/20 0.57
POLB P06746 1/20 0.53
GSK3B P49841 1/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP1B1 Q16678 1/20 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
Hydrochloric Acid SCHEMBL10548858 0.98 TDP1 (0.62) TDP1CES1CA1CA2SRD5A2
SCHEMBL10350330 0.82 ALDH1A1 (0.66) TDP1CES1CA1CA2SRD5A2
SCHEMBL7540166 0.82 TSHR (0.66) TDP1CES1CA1CA2SRD5A2
SCHEMBL6831013 0.82 CES1 (0.59) TDP1CES1CA1CA2SRD5A2
SCHEMBL28337082 0.82 CES1 (0.77) TDP1CES1CA1CA2SRD5A2
SCHEMBL762542 0.82 CES1 (0.77) TDP1CES1CA1CA2SRD5A2
SCHEMBL16925496 0.81 TDP1 (0.65) TDP1CES1CA1CA2SRD5A2
SCHEMBL713716 0.80 TSHR (0.47) CES1CA1CA2SRD5A2CES2
SCHEMBL4944977 0.79 TDP1 (0.69) TDP1CES1CA1CA2SRD5A2
SCHEMBL15180824 0.79 CES1 (0.79) TDP1CES1CA1CA2SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114381156-B Metal oxide dispersion composition, method for producing same, film composition containing same, optical film, and optical element 凯斯科技股份有限公司 2024-03-12 CN claimed
CN-112831206-B Inorganic oxide dispersion with controllable water content and preparation method thereof 凯斯科技股份有限公司 2022-12-30 CN claimed
CN-114656818-A Metal oxide dispersion 凯斯科技股份有限公司 2022-06-24 CN claimed
CN-114381156-A Metal oxide dispersion composition, method for producing same, film composition containing same, optical film, and optical element 凯斯科技股份有限公司 2022-04-22 CN claimed
CN-110090630-B Cyclodextrin-based intelligent response chiral chromatographic packing and preparation method and application thereof 西南医科大学 2022-04-15 CN claimed
CN-111229183-B Preparation method of crown ether functionalized porous multi-cavity microsphere adsorbent and application of adsorbent in lithium ion adsorption 江苏大学 2021-11-23 CN claimed
CN-111229183-A Preparation method of crown ether functionalized porous multi-cavity microsphere adsorbent and application of adsorbent in lithium ion adsorption 江苏大学 2020-06-05 CN claimed
EP-2686022-B1 IMPROVED GLYCAN ARRAYS AND METHODS FOR THEIR FABRICATION OBSCHESTVO S OGRANICHENNOY OTVETSTVENNOSTYU SEMIOTIK (RU) 2018-08-22 EP claimed
EP-1675818-B1 METHOD FOR SYNTHESIS OF ACRYLAMIDO AGMATINE GE HEALTHCARE BIO SCIENCES AB (SE) 2014-12-03 EP claimed
US-20110117332-A1 ACRYLATE RESIN, PHOTORESIST COMPOSITION COMPRISING THE SAME, AND PHOTORESIST PATTERN LG CHEM. LTD. (KR) 2011-05-19 US claimed
US-20040111144-A1 Barriers for polymeric coatings Surmodics Coatings, LLC 2004-06-10 US claimed
EP-0974626-B1 Aqueous pigmented ink jet inks for printing on vinyls DU PONT (US) 2004-05-19 EP claimed
EP-0826751-B1 Aqueous dispersions containing graft copolymers as the dispersant DU PONT (US) 2004-04-28 EP claimed
WO-2003105920-A1 METHOD AND SYSTEM FOR PROVIDING BIOACTIVE AGENT RELEASE COATING SURMODICS, INC. (US) 2003-12-24 WO claimed
WO-2003105919-A1 BIOACTIVE AGENT RELEASE COATING AND CONTROLLED HUMIDITY METHOD SURMODICS, INC. (US) 2003-12-24 WO claimed
WO-2003105918-A1 BIOACTIVE AGENT RELEASE COATING WITH AROMATIC POLY(METH)ACRYLATES SURMODICS, INC. (US) 2003-12-24 WO claimed
US-20030232087-A1 Bioactive agent release coating with aromatic poly(meth)acrylates Surmodics Coatings, LLC 2003-12-18 US claimed
US-20030232122-A1 Bioactive agent release coating and controlled humidity method Surmodics Coatings, LLC 2003-12-18 US claimed
US-20020188037-A1 Method and system for providing bioactive agent release coating Surmodics Coatings, LLC 2002-12-12 US claimed
US-3981775-A GRAFTING NITRO MONOMER ON TO POLYMER, AMINATION, DIAZOTIZATION, ISOTHIOCYANATO FORMATION KENYON ROBERT SYDNEY 1976-09-21 US claimed