SCHEMBL821676

SCHEMBL821676

CCCNCC(N)=O

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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 SCHEMBL1238516 0.97
SCHEMBL24368163 0.95 MAOA (0.48)
Dimethylamine SCHEMBL6859038 0.95 MAOA (0.48)
SCHEMBL2423250 0.85
SCHEMBL25920484 0.84 MAOA (0.39)
Milacemide SCHEMBL194513 0.83 MAOA (0.63)
SCHEMBL5233047 0.83 MAOA (0.61)
SCHEMBL21454436 0.82 MAOA (0.50)
SCHEMBL19745716 0.81 MAOA (0.67)
SCHEMBL7338476 0.81 MAOA (0.67)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4805909-B2 2011-11-02 JP claimed
US-20100087440-A1 Phosphatidylinositol 3-Kinase Inhibitors and Methods of Their Use EXELIXIS, INC. 2010-04-08 US claimed
EP-2139483-A2 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER Exelixis, Inc. (US) 2010-01-06 EP claimed
WO-2008127594-A2 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC. (US) 2008-10-23 WO claimed
EP-1931645-A2 N- (3-AMINO-QUINOXALIN-2-YL) -SULFONAMIDE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS Exelixis, Inc. (US) 2008-06-18 EP claimed
EP-1809275-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-07-25 EP claimed
WO-2007044729-A2 N- (3-AMINO-QUINOXALIN-2-YL) -SULFONAMIDE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS EXELIXIS, INC. (US) 2007-04-19 WO claimed
US-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 US claimed
WO-2006044707-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-04-27 WO claimed
US-20050119245-A1 GlyT2 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 US claimed
WO-2005044810-A1 GLYT2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-19 WO claimed
EP-1339687-A1 4-6-DIPHENYL PYRIDINE DERIVATIVES AS ANTIINFLAMMATORY AGENTS Bayer Aktiengesellschaft (DE) 2003-09-03 EP claimed
EP-0757691-B1 CEPHALOSPORIN SYNTHESIS BIOCHEMIE GMBH (AT) 2003-07-02 EP claimed
WO-2002044153-A1 4-6-DIPHENYL PYRIDINE DERIVATIVES AS ANTIINFLAMMATORY AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2002-06-06 WO claimed
EP-0632039-B1 2-[1-(1,3-Thiazolin-2-yl)azetidin-3-yl]thio-carbapenem derivatives WYETH LEDERLE JAPAN LTD (JP) 2002-01-30 EP claimed
US-5708165-A ISOMERIZATION IN SOLVENT OF CEPHALOSPORINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-01-13 US claimed
US-5534510-A ORALLY ADMINISTRABLE THIENAMYCIN ANTIBIOTICS; BETA-LACTAMASE INHIBITORS LEDERLE (JAPAN), LTD. (JP) 1996-07-09 US claimed
EP-0634415-A2 Cephem compound, its production and its use for producing cephem antibiotics SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-01-18 EP claimed
EP-0007597-B1 N-LOWERALKYL-GLYCINAMIDES AND SARCOSINE ANHYDRIDE AND THEIR MIXTURES WITH KNOWN TUMOR-INHIBITING COMPOUNDS, SARCOSIN FOR USE IN THE TREATMENT OF TUMORS, MEDICAMENTS CONTAINING THESE COMPOUND AND PROCESSES FOR THEIR PREPARATION Stiftung Deutsches Krebsforschungszentrum (DE) 1985-01-16 EP claimed
JP-8151354-A None JP disclosed
US-20250346567-A1 SUBSTITUTED PYRIDINE AND PHENYL COMPOUNDS PFIZER INC. (US) 2025-11-13 US disclosed
CN-117425658-A Quinazoline derivatives as RAS inhibitors 莱德克斯制药公共有限公司 2024-01-19 CN disclosed
EP-3275904-B1 WATER DISPERSION OF GEL PARTICLES, PRODUCING METHOD THEREOF, AND IMAGE FORMATION METHOD FUJIFILM CORP (JP) 2021-12-01 EP disclosed
US-20210347709-A1 RADIOFLUORINATED GPC3-BINDING PEPTIDES FOR PET IMAGING OF HEPATOCELLULAR CARCINOMA UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2021-11-11 US disclosed
EP-3345967-B1 INK COMPOSITION FOR INKJET RECORDING, METHOD FOR MANUFACTURING THE SAME, AND INKJET RECORDING METHOD FUJIFILM CORP (JP) 2020-11-25 EP disclosed
US-10640524-B2 Prototype systems of theranostic biomarkers for in vivo molecular management of cancer EPOS-IASIS RESEARCH AND DEVELOPMNT, LTD (CY) 2020-05-05 US disclosed
EP-3608375-A1 INK COMPOSITION, PRODUCTION METHOD THEREFOR, AND IMAGE FORMATION METHOD FUJIFILM Corporation (JP) 2020-02-12 EP disclosed
EP-3345966-A1 AQUEOUS DISPERSION, PRODUCTION METHOD THEREFOR, AND IMAGE FORMATION METHOD FUJIFILM Corporation (JP) 2018-07-11 EP disclosed
US-20180170953-A1 PROTOTYPE SYSTEMS OF THERANOSTIC BIOMARKERS FOR IN VIVO MOLECULAR MANAGEMENT OF CANCER EPOS-IASIS RESEARCH AND DEVELOPMENT, LTD (CY) 2018-06-21 US disclosed
EP-2780039-B9 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER (US) 2018-04-18 EP disclosed
EP-3275861-A1 TETRACYCLINE COMPOUNDS Tetraphase Pharmaceuticals, Inc. (US) 2018-01-31 EP disclosed
EP-3275919-A1 AQUEOUS DISPERSION OF GEL PARTICLES, PROCESS FOR PRODUCING SAME, AND METHOD FOR FORMING IMAGE Fujifilm Corporation (JP) 2018-01-31 EP disclosed
US-20170334841-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-11-23 US disclosed
EP-2470500-B1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2017-10-04 EP disclosed
EP-3159337-A2 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS Ventirx Pharmaceuticals, Inc. (US) 2017-04-26 EP disclosed
US-9624166-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
EP-2467380-B1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS INC (US) 2016-11-30 EP disclosed
US-20160137608-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS, INC. (US) 2016-05-19 US disclosed
US-9242964-B2 Substituted benzoazepines as toll-like receptor modulators VENTIRX PHARMACEUTICALS, INC. (US) 2016-01-26 US disclosed
EP-2212330-B1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (3) CHOONGWAE PHARMA CORP (KR) 2015-04-08 EP disclosed
EP-2212329-B1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) CHOONGWAE PHARMA CORP (KR) 2014-07-30 EP disclosed
US-20140142086-A1 Substituted Benzoazepines as Toll-Like Receptor Modulators ARRAY BIOPHARMA, INC. (US) 2014-05-22 US disclosed
US-8524702-B2 Substituted benzoazepines as toll-like receptor modulators VENTIRX PHARMACEUTICALS, INC. (US) 2013-09-03 US disclosed
EP-2591795-A1 RNA targeting compounds and methods for making and using same The Research Foundation Of State University Of New York (US) 2013-05-15 EP disclosed
US-8334239-B2 High affinity VEGF-receptor antagonists THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-12-18 US disclosed
WO-2012143116-A1 4-OXO-1-IMIDAZOLIDINYL IMIDAZOTHIADIAZOLE DERIVATIVES UCB PHARMA, S.A. (BE) 2012-10-26 WO disclosed
EP-2129388-B1 RNA TARGETING COMPOUNDS AND METHODS FOR MAKING AND USING SAME UNIV NEW YORK STATE RES FOUND 2012-09-12 EP disclosed
US-20120208788-A1 Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-08-16 US disclosed
EP-2467380-A2 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS Ventirx Pharmaceuticals, Inc. (US) 2012-06-27 EP disclosed
US-20110280815-A1 COMPOSITION FOR INHIBITING MELANIN PRODUCTION AND APPLICATION THEREOF TAIWAN HOPAX CHEMS. MFG. CO., LTD. (TW) 2011-11-17 US disclosed
US-20110118235-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS, INC. (US) 2011-05-19 US disclosed
WO-2011022509-A2 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS, INC. (US) 2011-02-24 WO disclosed
EP-2056829-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER Exelixis, Inc. (US) 2009-05-13 EP disclosed
EP-1435962-A4 TREATMENT OF TYPE I DIABETES CELL PATHWAYS INC (US) 2009-04-15 EP disclosed
WO-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 WO disclosed
EP-1809275-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-07-25 EP disclosed
US-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 US disclosed
EP-1682126-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2006-07-26 EP disclosed
US-7064218-B2 Aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. (US) 2006-06-20 US disclosed
WO-2006044707-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-04-27 WO disclosed
US-6906103-B2 Compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. (US) 2005-06-14 US disclosed
US-20050119245-A1 GlyT2 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 US disclosed
WO-2005044810-A1 GLYT2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-19 WO disclosed
WO-2005037273-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2005-04-28 WO disclosed
US-6849713-B2 Compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. (US) 2005-02-01 US disclosed
EP-0924210-B1 2-(1-(1,3-Thiazolin-2-yl)azetidin-3-yl)thio-carbapenem derivatives WYETH K K (JP) 2004-08-18 EP disclosed
EP-1435962-A2 TREATMENT OF TYPE I DIABETES Cell Pathways, Inc. (US) 2004-07-14 EP disclosed
US-20030212113-A1 Novel aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity GLAXOSMITHKLINE LLC 2003-11-13 US disclosed
US-20030119749-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity SMITHKLINE BEECHAM CORPORATION 2003-06-26 US disclosed
EP-1294713-A2 COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2003-03-26 EP disclosed
WO-2002000650-A9 NOVEL COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECH INC (US) 2003-03-06 WO disclosed
WO-2003017925-A2 TREATMENT OF TYPE I DIABETES CELL PATHWAYS, INC. (US) 2003-03-06 WO disclosed
US-20020037856-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. 2002-03-28 US disclosed
EP-0632039-B1 2-[1-(1,3-Thiazolin-2-yl)azetidin-3-yl]thio-carbapenem derivatives WYETH LEDERLE JAPAN LTD (JP) 2002-01-30 EP disclosed
EP-0764648-B1 Cephem derivatives and process for the preparation thereof EISAI CO LTD (JP) 2002-01-16 EP disclosed
WO-2002000650-A2 NOVEL COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2002-01-03 WO disclosed
US-5969131-A OR PRECURSORS; CHEMICAL INTERMEDIATES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-10-19 US disclosed
EP-0924210-A1 2-(1-(1,3-Thiazolin-2-yl)azetidin-3-yl)thio-carbapenem derivatives LEDERLE (JAPAN), Ltd. (JP) 1999-06-23 EP disclosed
US-5783703-A CARBAPENEM INTERMEDIATES LEDERLE (JAPAN), LTD. (JP) 1998-07-21 US disclosed
US-5708165-A ISOMERIZATION IN SOLVENT OF CEPHALOSPORINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-01-13 US disclosed
US-5679790-A ANTIBIOTICS, BACTERICIDES LEDERLE (JAPAN), LTD. (JP) 1997-10-21 US disclosed
EP-0333154-B1 Process for the preparation of cephem derivatives EISAI CO LTD (JP) 1997-07-16 EP disclosed
US-5616582-A Use as anticancer agents; e.g. gefitinib ZENECA LIMITED (GB) 1997-04-01 US disclosed
EP-0764648-A1 Cephem derivatives and process for the preparation thereof Eisai Co., Ltd. (JP) 1997-03-26 EP disclosed
US-5534510-A ORALLY ADMINISTRABLE THIENAMYCIN ANTIBIOTICS; BETA-LACTAMASE INHIBITORS LEDERLE (JAPAN), LTD. (JP) 1996-07-09 US disclosed
JP-H08151354-A PRODUCTION OF AMINOACETAMIDE DERIVATIVE EISAI KAGAKU KK 1996-06-11 JP disclosed
US-5457105-A anticancer use; e.g. 4-(3'-chloro-4'-fluoroanilino)-6,7-dimethoxyquinazoline (gefitinib) ZENECA LIMITED (GB) 1995-10-10 US disclosed
EP-0520883-B1 2-Aminopyrimidin-4-carboxamide derivatives, their preparation and their use in therapy SYNTHELABO (FR) 1995-07-12 EP disclosed
EP-0634415-A2 Cephem compound, its production and its use for producing cephem antibiotics SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-01-18 EP disclosed
EP-0632039-A1 2-(1-(1,3-Thiazolin-2-yl)azetidin-3-yl)thio-carbapenem derivatives LEDERLE (JAPAN), Ltd. (JP) 1995-01-04 EP disclosed
US-5373000-A Antibacterial agent against both grampositive and gramnegative bacterias EISAI CO., LTD. (JP) 1994-12-13 US disclosed
EP-0612751-A2 Compounds for the preparation of cephem derivatives Eisai Co., Ltd. (JP) 1994-08-31 EP disclosed
CN-1022837-C Process for preparation of cephem derivatives and intermediates therefor EISAI CO LTD (JP) 1993-11-24 CN disclosed
EP-0566226-A1 Quinazoline derivatives ZENECA LIMITED (GB) 1993-10-20 EP disclosed
EP-0520883-A1 2-Aminopyrimidin-4-carboxamide derivatives, their preparation and their use in therapy SYNTHELABO (FR) 1992-12-30 EP disclosed
US-5128465-A Containing thiadiazole ring and fluorine substitution EISAI CO., LTD. (JP) 1992-07-07 US disclosed
US-5089491-A Active against both gram-negative and gram-positive bacteria EISAI CO., LTD. (JP) 1992-02-18 US disclosed
EP-0264091-B1 3-PROPENYLCEPHEM DERIVATIVE, PREPARATION THEREOF, CHEMICAL INTERMEDIATES THEREIN, PHARMACEUTICAL COMPOSITION AND USE Eisai Co., Ltd. (JP) 1992-02-05 EP disclosed
US-5066812-A Chemical intermediates for bactericides EISAI CO., LTD. (JP) 1991-11-19 US disclosed
US-5006649-A Bactericides EISAI, CO. (JP) 1991-04-09 US disclosed
US-4921850-A GRAMNEGATIVE AND GRAMPOSITIVE BACTERICIDE EISAI CO., LTD. (JP) 1990-05-01 US disclosed
CN-1036769-A The method for preparing Cephem Derivative and intermediate thereof EISAI CO LTD (JP) 1989-11-01 CN disclosed
EP-0333154-A2 Process for the preparation of cephem derivatives and intermediates therefor Eisai Co., Ltd. (JP) 1989-09-20 EP disclosed
US-4766149-A SYNERGISTIC MIXTURE WITH ANTITUMOR AND ANTICARCINOGENIC AGENTS STIFTUNG DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 1988-08-23 US disclosed
EP-0216744-A2 The compound 1,4-diisopropyl-2,5-diketopiperazine Monsanto Company (US) 1987-04-01 EP disclosed
EP-0067499-B1 PROCESS FOR PRODUCING ALPHA-AMINO ACIDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1985-10-23 EP disclosed
EP-0007597-B1 N-LOWERALKYL-GLYCINAMIDES AND SARCOSINE ANHYDRIDE AND THEIR MIXTURES WITH KNOWN TUMOR-INHIBITING COMPOUNDS, SARCOSIN FOR USE IN THE TREATMENT OF TUMORS, MEDICAMENTS CONTAINING THESE COMPOUND AND PROCESSES FOR THEIR PREPARATION Stiftung Deutsches Krebsforschungszentrum (DE) 1985-01-16 EP disclosed
US-4459423-A Process for producing α-amino acids MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1984-07-10 US disclosed
EP-0007597-A1 N-loweralkyl-glycinamides and sarcosine anhydride and their mixtures with known tumor-inhibiting compounds, sarcosin for use in the treatment of tumors, medicaments containing these compound and processes for their preparation Stiftung Deutsches Krebsforschungszentrum (DE) 1980-02-06 EP disclosed
EP-0007597-A1 N-loweralkyl-glycinamides and sarcosine anhydride and their mixtures with known tumor-inhibiting compounds, sarcosin for use in the treatment of tumors, medicaments containing these compound and processes for their preparation Stiftung Deutsches Krebsforschungszentrum (DE) 1980-02-06 EP disclosed