SCHEMBL3977455

SCHEMBL3977455

CC[C](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
SCHEMBL1081210 0.74
Propionamide SCHEMBL4230074 0.73
SCHEMBL3603565 0.70
SCHEMBL13381508 0.70
SCHEMBL8099258 0.70
Propionic Acid SCHEMBL3795566 0.70
Propionamide SCHEMBL2722745 0.70
Propionic Acid SCHEMBL1896909 0.70
SCHEMBL3239168 0.70
Propionic Acid SCHEMBL5054297 0.70 FFAR3 (0.77)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117942294-A Facial cleanser composition containing dendrobium candidum extract and preparation method thereof 澳宝化妆品(惠州)有限公司 2024-04-30 CN claimed
CN-117334855-A Zwitterionic polymer coated silicon carbon material and preparation method and application thereof 碳一新能源集团有限责任公司 2024-01-02 CN claimed
CN-114042005-B Suspension composition containing lamellar liquid crystal and preparation process thereof 广州天赐高新材料股份有限公司 2023-09-08 CN claimed
CN-116496187-A High-stability ionic polymer antistatic agent and preparation method thereof 杭州临安德昌静电科技有限公司 2023-07-28 CN claimed
CN-116211726-A Sulfate-free hair composition and method for evaluating washability 九江天赐高新材料有限公司 2023-06-06 CN claimed
CN-115300405-A Hair composition with color protection effect and preparation method and application thereof 清远天赐高新材料有限公司 2022-11-08 CN claimed
CN-108424760-B CO suitable for compact oil reservoir2Sensitive fracturing-displacement system and preparation method and application method thereof 中国石油大学(华东) 2021-02-23 CN claimed
CN-101522661-A Compounds and compositions as protein kinase inhibitors IRM LLC (VG) 2009-09-02 CN claimed
CN-101454327-A Azolopyrimidines as inhibitors of cannabinoid 1 activity IRM LLC (BM) 2009-06-10 CN claimed
US-20070275986-A1 Use of purine derivatives for the production of medicaments for the treatment of mucoviscidosis and diseases related to protein addressing errors in cells CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2007-11-29 US claimed
EP-1802310-A1 USE OF PURINE DERIVATIVES FOR THE PRODUCTION OF MEDICAMENTS FOR THE TREATMENT OF MUCOVISCIDOSIS AND DISEASES RELATED TO PROTEIN ADDRESSING ERRORS IN CELLS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2007-07-04 EP claimed
WO-2006042949-A1 USE OF PURINE DERIVATIVES FOR THE PRODUCTION OF MEDICAMENTS FOR THE TREATMENT OF MUCOVISCIDOSIS AND DISEASES RELATED TO PROTEIN ADDRESSING ERRORS IN CELLS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2006-04-27 WO claimed
EP-0165580-A2 Resin compositions and products using the same Takeda Chemical Industries, Ltd. (JP) 1985-12-27 EP claimed
US-4100193-A MICROBIOCIDES, ALGAE INHIBITORS MERCK & CO., INC. (US) 1978-07-11 US claimed
US-4065497-A MICROBIOCIDES, ALGICIDES MERCK & CO., INC. (US) 1977-12-27 US claimed
US-4060639-A Broad spectrum antibacterial compositions containing tris-(hydroxymethyl)-aminoethane and dicycloaliphatic-alkyl polyamines MERCK & CO., INC. (US) 1977-11-29 US claimed
US-4058624-A Broad spectrum antibacterial compositions containing tris (hydroxymethyl)-aminomethane and diphenyl and loweralkyl substituted diphenyl polyamines MERCK & CO., INC. (US) 1977-11-15 US claimed
US-4058625-A Broad spectrum antimicrobial compositions containing tris-(hydroxymethyl)aminomethane and polyamines MERCK & CO., INC. (US) 1977-11-15 US claimed
US-4049417-A CONTAINING CYCLOHEXYL OR CYCLOHEXENYL RINGS MERCK & CO., INC. (US) 1977-09-20 US claimed
CN-115300405-B Hair composition with color protection effect and preparation method and application thereof 清远天赐高新材料有限公司 2024-06-14 CN disclosed
CN-117942294-A Facial cleanser composition containing dendrobium candidum extract and preparation method thereof 澳宝化妆品(惠州)有限公司 2024-04-30 CN disclosed
CN-117883317-A Suspension system, transparent shampoo and preparation method thereof 广州环亚化妆品科技股份有限公司 2024-04-16 CN disclosed
CN-117334855-A Zwitterionic polymer coated silicon carbon material and preparation method and application thereof 碳一新能源集团有限责任公司 2024-01-02 CN disclosed
CN-114983864-B Salicylic acid transparent bath foam of suspension system and preparation method thereof 广州环亚化妆品科技股份有限公司 2023-09-05 CN disclosed
CN-116496187-A High-stability ionic polymer antistatic agent and preparation method thereof 杭州临安德昌静电科技有限公司 2023-07-28 CN disclosed
CN-116211726-A Sulfate-free hair composition and method for evaluating washability 九江天赐高新材料有限公司 2023-06-06 CN disclosed
WO-2023041757-A1 NEW COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2023-03-23 WO disclosed
EP-1802310-B1 USE OF PURINE DERIVATIVES FOR THE PRODUCTION OF MEDICAMENTS FOR THE TREATMENT OF MUCOVISCIDOSIS AND DISEASES RELATED TO PROTEIN ADDRESSING ERRORS IN CELLS MANROS THERAPEUTICS (FR) 2014-12-17 EP disclosed
US-8492420-B2 Use of purine derivatives for the production of medicaments for the treatment of mucoviscidosis and diseases related to protein addressing errors in cells CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE-CNRS (FR) 2013-07-23 US disclosed
US-20090264411-A1 FUSED THIOPHENE DERIVATIVES AS MEK INHIBITORS UCB PHARMA S.A. (BE) 2009-10-22 US disclosed
CN-101522661-A Compounds and compositions as protein kinase inhibitors IRM LLC (VG) 2009-09-02 CN disclosed
WO-2009093013-A1 FUSED THIOPHENE DERIVATIVES AS MEK INHIBITORS UCB PHARMA S.A. (BE) 2009-07-30 WO disclosed
WO-2009093009-A1 FUSED TRICYCLIC THIOPHENE DERIVATIVES AS MEK INHIBITORS UCB PHARMA S.A. (BE) 2009-07-30 WO disclosed
CN-101454327-A Azolopyrimidines as inhibitors of cannabinoid 1 activity IRM LLC (BM) 2009-06-10 CN disclosed
EP-2054417-A2 FUSED THIOPHENE DERIVATIVES AS MEK INHIBITORS UCB Pharma S.A. (BE) 2009-05-06 EP disclosed
WO-2008020206-A2 FUSED THIOPHENE DERIVATIVES AS MEK INHIBITORS UCB PHARMA S.A. (BE) 2008-02-21 WO disclosed
US-20070275986-A1 Use of purine derivatives for the production of medicaments for the treatment of mucoviscidosis and diseases related to protein addressing errors in cells CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2007-11-29 US disclosed
EP-1802310-A1 USE OF PURINE DERIVATIVES FOR THE PRODUCTION OF MEDICAMENTS FOR THE TREATMENT OF MUCOVISCIDOSIS AND DISEASES RELATED TO PROTEIN ADDRESSING ERRORS IN CELLS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2007-07-04 EP disclosed
US-20060160154-A1 Materials and methods for detection and treatment of breast cancer MATRITECH, INC. (US) 2006-07-20 US disclosed
EP-0923740-B1 METHODS AND COMPOSITIONS FOR THE DETECTION OF CERVICAL CANCER MATRITECH INC (US) 2006-07-05 EP disclosed
CN-1775794-A Azitromycin double salts and their preparing method and use XI AN XIN AN MEDICINAL SCI & T (CN) 2006-05-24 CN disclosed
WO-2006042949-A1 USE OF PURINE DERIVATIVES FOR THE PRODUCTION OF MEDICAMENTS FOR THE TREATMENT OF MUCOVISCIDOSIS AND DISEASES RELATED TO PROTEIN ADDRESSING ERRORS IN CELLS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2006-04-27 WO disclosed
US-6936424-B1 Materials and methods for detection and treatment of breast cancer MATRITECH, INC. (US) 2005-08-30 US disclosed
US-20050164313-A1 Methods and compositions for the detection of cervical cancer KEESEE SUSAN K (US) 2005-07-28 US disclosed
US-6803189-B2 BINDING LABELED ANTIBODY TO PROTEIN; MEASUREMENT; CALIBRATION MATRITECH, INC. 2004-10-12 US disclosed
WO-2002075314-A9 DETECTION AND TREATMENT OF PROSTATE CANCER MATRITECH INC (US) 2003-11-20 WO disclosed
US-20030157482-A1 METHODS AND COMPOSITIONS FOR THE DETECTION OF CERVICAL CANCER ALERE SAN DIEGO, INC. (FKA BIOSITE INC. OR FKA CHOLESTECH CORP. OR FKA HEMOSENSE INC. OR FKA INVERNESS MEDICAL-BIOSTAR INC. OR FKA ISCHEMIA TECHNOLOGIES, INC. OR FKA TWISTDX, INC.) 2003-08-21 US disclosed
US-20020164664-A1 Detection and treatment of prostate cancer MATRITECH, INC. 2002-11-07 US disclosed
WO-2002078636-A2 DETECTION AND TREATMENT OF COLORECTAL CANCER MATRITECH, INC. (US) 2002-10-10 WO disclosed
WO-2002075314-A2 DETECTION AND TREATMENT OF PROSTATE CANCER MATRITECH, INC. (US) 2002-09-26 WO disclosed
EP-1232177-A2 METHODS AND COMPOSITIONS FOR DETECTION AND TREATMENT OF BREAST CANCER, BASED ON BREAST CANCER-ASSOCIATED POLYPEPTIDES Matritech, Inc. (US) 2002-08-21 EP disclosed
WO-2001036470-A2 METHODS AND COMPOSITIONS FOR DETECTION AND TREATMENT OF BREAST CANCER, BASED ON BREAST CANCER-ASSOCIATED POLYPEPTIDES MATRITECH, INC. (US) 2001-05-25 WO disclosed
US-6027905-A SCREENING FOR CERVIAL CANCER IN A HUMAN BY DETECTING THE PRESENCE OF A PROTEIN OF GIVEN AMINO ACID SEQUENCE IN A SAMPLE OBTAINED FROM THE HUMAN; PRESENCE INDICATES CERVICAL CANCER MATRITECH, INC. (US) 2000-02-22 US disclosed
EP-0923740-A2 METHODS AND COMPOSITIONS FOR THE DETECTION OF CERVICAL CANCER MATRITECH, INC. (US) 1999-06-23 EP disclosed
US-5858683-A DETERMINING PRESENCE OF NON-CHROMATIN PROTEIN IN BIOLOGICAL SAMPLE (PAP SMEARS) BY IMMUNOASSAY OR TWO-DIMENSIONAL ELECTROPHORESIS; ACCURATE RAPID DIAGNOSIS BEFORE METASTASIS OCCURS MATRITECH, INC. (US) 1999-01-12 US disclosed
EP-0856052-A1 ANTISENSE OLIGONUCLEOTIDE CHEMOTHERAPY FOR BENIGN HYPERPLASIA OR CANCER OF THE PROSTATE University of Massachusetts (US) 1998-08-05 EP disclosed
EP-0851919-A1 ANTISENSE OLIGONUCLEOTIDE CHEMOTHERAPY FOR BENIGN HYPERPLASIA OR CANCER OF THE PROSTATE University of Massachusetts Worcester (US) 1998-07-08 EP disclosed
WO-1998009170-A2 METHODS AND COMPOSITIONS FOR THE DETECTION OF CERVICAL CANCER MATRITECH, INC. (US) 1998-03-05 WO disclosed
WO-1997011170-A1 ANTISENSE OLIGONUCLEOTIDE CHEMOTHERAPY FOR BENIGN HYPERPLASIA OR CANCER OF THE PROSTATE WORCESTER FOUNDATION FOR BIOMEDICAL RESEARCH (US) 1997-03-27 WO disclosed
WO-1997011172-A1 ANTISENSE OLIGONUCLEOTIDE CHEMOTHERAPY FOR BENIGN HYPERPLASIA OR CANCER OF THE PROSTATE UNIVERSITY OF MASSACHUSETTS (US) 1997-03-27 WO disclosed
EP-0715649-A1 PROCESS FOR PREPARING CONCENTRATED SURFACTANT MIXTURES CONTAINING MAGNESIUM PROCTER & GAMBLE (US) 1996-06-12 EP disclosed
EP-0548265-B1 MILD SHAMPOO COMPOSITIONS PROCTER & GAMBLE (US) 1995-12-06 EP disclosed
WO-1995006103-A1 PROCESS FOR PREPARING CONCENTRATED SURFACTANT MIXTURES CONTAINING MAGNESIUM THE PROCTER & GAMBLE COMPANY (US) 1995-03-02 WO disclosed
US-5229412-A Administering carrier with anxiolytic derivatives of N-(3-/4-indolyloxy/-2-hydroxypropyl)-1,8-diamino-p-menthane THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1993-07-20 US disclosed
WO-1992004882-A1 MILD SHAMPOO COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1992-04-02 WO disclosed
EP-0338877-A1 Selective binding compounds for 5-hydroxytryptamine 1-A-receptors and pharmaceutical compositions containing them THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1989-10-25 EP disclosed
US-4808412-A BIOACTIVE INGREDIENT DISPERSED IN BASIC POLYMER EASTMAN KODAK COMPANY (US) 1989-02-28 US disclosed
US-4340756-A Polyamine compounds as antibacterial agents MERCK & CO., INC. (US) 1982-07-20 US disclosed
US-4260760-A BACTERICIDES, ALGICIDES MERCK & CO., INC. (US) 1981-04-07 US disclosed
US-4172094-A Polyamine compounds MERCK & CO., INC. (US) 1979-10-23 US disclosed
US-4100193-A MICROBIOCIDES, ALGAE INHIBITORS MERCK & CO., INC. (US) 1978-07-11 US disclosed
US-4091020-A CONDENSATION, CATALYTIC DECARBOXYLATION MERCK & CO., INC. (US) 1978-05-23 US disclosed
US-4065497-A MICROBIOCIDES, ALGICIDES MERCK & CO., INC. (US) 1977-12-27 US disclosed
US-4061775-A Polyamine compounds as antibacterial agents MERCK & CO., INC. (US) 1977-12-06 US disclosed
US-4060639-A Broad spectrum antibacterial compositions containing tris-(hydroxymethyl)-aminoethane and dicycloaliphatic-alkyl polyamines MERCK & CO., INC. (US) 1977-11-29 US disclosed
US-4058624-A Broad spectrum antibacterial compositions containing tris (hydroxymethyl)-aminomethane and diphenyl and loweralkyl substituted diphenyl polyamines MERCK & CO., INC. (US) 1977-11-15 US disclosed
US-4058625-A Broad spectrum antimicrobial compositions containing tris-(hydroxymethyl)aminomethane and polyamines MERCK & CO., INC. (US) 1977-11-15 US disclosed
US-4049417-A CONTAINING CYCLOHEXYL OR CYCLOHEXENYL RINGS MERCK & CO., INC. (US) 1977-09-20 US disclosed
US-4003934-A ANTIMICROBIAL AGENTS, ALGAE INHIBITORS MERCK & CO., INC. (US) 1977-01-18 US disclosed
US-4003934-A ANTIMICROBIAL AGENTS, ALGAE INHIBITORS MERCK & CO., INC. (US) 1977-01-18 US disclosed