SCHEMBL670773

SCHEMBL670773

O=C=NCCc1ccc(N=C=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.61
TSHR P16473 1/20 0.61
P2RY6 Q15077 1/20 0.45
CYP1A2 P05177 1/20 0.45
MIF P14174 5/20 0.40
TRPA1 O75762 2/20 0.38
CYP2E1 P05181 1/20 0.38
CYP2A6 P11509 1/20 0.38
HIF1A Q16665 1/20 0.38
CYP2A13 Q16696 1/20 0.38
EPAS1 Q99814 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31

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
SCHEMBL11764558 0.89 CYP3A4 (0.57) CYP3A4TSHRP2RY6CYP1A2MIF
SCHEMBL331135 0.87 MIF (0.48) CYP3A4TSHRP2RY6MIFTRPA1
SCHEMBL733010 0.85 CYP3A4 (0.74) CYP3A4TSHRP2RY6CYP1A2TRPA1
SCHEMBL11383914 0.83 CYP3A4 (0.50) CYP3A4TSHRP2RY6CYP1A2TRPA1
SCHEMBL1900351 0.81 CYP3A4 (0.68) CYP3A4TSHRP2RY6CYP1A2TRPA1
SCHEMBL7898757 0.81 CYP3A4 (0.68) CYP3A4TSHRP2RY6CYP1A2MIF
SCHEMBL28077466 0.81 CYP3A4 (0.74) CYP3A4TSHRP2RY6CYP1A2MIF
SCHEMBL1504252 0.79 CYP3A4 (0.71) CYP3A4TSHRP2RY6CYP1A2MIF
SCHEMBL302097 0.79 CYP3A4 (0.65) CYP3A4TSHRP2RY6CYP1A2MIF
SCHEMBL21224513 0.79 CYP3A4 (0.54) CYP3A4TSHRP2RY6CYP1A2MIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571477-A2 LOW STRESS FLOWABLE DENTAL COMPOSITION Dentsply International Inc. (US) 2013-03-27 EP claimed
WO-2011139933-A2 LOW STRESS FLOWABLE DENTAL COMPOSITION DENTSPLY INTERNATIONAL INC. (US) 2011-11-10 WO claimed
EP-3548541-A1 DUAL CURE MONOMERS 3M Innovative Properties Company (US) 2019-10-09 EP disclosed
WO-2019053690-A2 HYDROXYL-FUNCTIONAL POLYAMINE SILICONE LIGAND SUITABLE FOR QUANTUM DOT COMPOSITIONS AND ARTICLES 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-03-21 WO disclosed
WO-2019053692-A2 HYDROXYL-FUNCTIONAL UNSATURATED POLYAMINE SILICONE LIGAND SUITABLE FOR QUANTUM DOT COMPOSITIONS AND ARTICLES 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-03-21 WO disclosed
WO-2019030680-A1 QUANTUM DOT COMPOSITIONS AND ARTICLES 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-02-14 WO disclosed
EP-3368224-A1 SPRAY APPLICATION SYSTEM COMPONENTS COMPRISING A REPELLENT SURFACE&METHODS 3M Innovative Properties Company (US) 2018-09-05 EP disclosed
WO-2018102197-A1 DUAL CURE MONOMERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-06-07 WO disclosed
WO-2018051269-A1 FLUORESCENT NANOPARTICLES STABILIZED WITH A FUNCTIONAL AMINOSILICONE 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-03-22 WO disclosed
EP-3283561-A1 QUANTUM DOT ARTICLE WITH THIOL-ALKENE-EPOXY MATRIX 3M Innovative Properties Company (US) 2018-02-21 EP disclosed
WO-2017189215-A1 ARTICLES SUBJECT TO ICE FORMATION COMPRISING A REPELLENT SURFACE COMPRISING A FLUOROCHEMICAL MATERIAL 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-11-02 WO disclosed
WO-1988009350-A1 IMPROVED CONDUCTIVE POLYURETHANE FOAM COMPOSITIONS AND METHOD CREST-FOAM COPORATION (US) 1988-12-01 WO disclosed
EP-0166599-A2 Fluorochemical allophanate compositions and fibrous substrates treated therewith MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1986-01-02 EP disclosed
EP-0160402-A2 Fluorochemicals and fibrous substrates treated therewith MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-11-06 EP disclosed
EP-0157611-A1 Fluorochemical biuret compositions and fibrous substrates treated therewith MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-10-09 EP disclosed
US-4152348-A INHIBITION OF COLOR FORMATION ON STORAGE THE UPJOHN COMPANY (US) 1979-05-01 US disclosed
US-4104287-A 4-M,M'-Di-t-butyl-p-hydroxyphenyl) butyl-2 compounds BASF AKTIENGESELLSCHAFT (DE) 1978-08-01 US disclosed
US-4100191-A 4-(M,M'-Di-t-butyl-p-hydroxyphenyl)-butyl-2-diamides BASF AKTIENGESELLSCHAFT (DE) 1978-07-11 US disclosed
US-4098773-A ADDUCTS BASF WYANDOTTE CORPORATION (US) 1978-07-04 US disclosed
US-4026952-A 4-(M,M'-DI-T-BUTYL-P-HYDROXYPHENYL) BUTYL-2 COMPOUNDS BASF AKTIENGESELLSCHAFT (DT) 1977-05-31 US disclosed