SCHEMBL877674

SCHEMBL877674

COC(=O)c1cc[nH]n1

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 SCHEMBL7838091 0.98 MAPK1 (0.48)
SCHEMBL13735154 0.92 KDM4E (0.46)
SCHEMBL13735156 0.81 KMT2A (0.39)
SCHEMBL29291200 0.79 ALDH1A1 (0.35)
SCHEMBL649147 0.78
SCHEMBL28457471 0.78
SCHEMBL28696144 0.78
SCHEMBL3998685 0.78 MAPK1 (0.33)
SCHEMBL28475296 0.78
SCHEMBL27513898 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119039225-A Purification method of fluorine-containing methyl pyrazole carboxylic ester 中蓝晨光化工研究设计院有限公司 2024-11-29 CN claimed
CN-114213328-B Method for synthesizing nitroamine compound 武汉大学 2023-08-29 CN claimed
WO-2023277517-A1 ACYCLIC NUCLEIC ACID MIMIC COMPRISING PENTACYCLIC BASE 동아대학교 산학협력단 2023-01-05 WO claimed
CN-111039870-B Preparation method of polyhalogenated methyl pyrazole formate 浙江本立科技股份有限公司 2022-03-22 CN claimed
CN-111039870-A Preparation method of polyhalogenated methyl pyrazole formate 浙江本立科技股份有限公司 2020-04-21 CN claimed
CN-109221192-A A kind of herbicidal composition and preparation method thereof containing penoxsuam 安徽圣丰生化有限公司 2019-01-18 CN claimed
CN-109105380-A A kind of herbicidal composition of penoxsuam and KIH 6127 安徽圣丰生化有限公司 2019-01-01 CN claimed
US-10087197-B2 Selective extraction of anions from solution WESTERN MICHIGAN UNIVERSITY RESEARCH FOUNDATION (US) 2018-10-02 US claimed
CN-104961881-A Dynamic bond-containing polyurethane material for 3D printing and its preparation method and use UNIV SICHUAN 2015-10-07 CN claimed
US-20150158749-A1 SELECTIVE EXTRACTION OF ANIONS FROM SOLUTION THE BOARD OF TRUSTEES OF WESTERN MICHIGAN UNIVERSITY 2015-06-11 US claimed
WO-2013114332-A1 4-(BENZOIMIDAZOL-2-YL)-THIAZOLE COMPOUNDS AND RELATED AZA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-08-08 WO claimed
EP-2059503-A1 AMINOPYRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES CONTAINING THE SAME Korea Research Institute Of Chemical Technology (KR) 2009-05-20 EP claimed
EP-1917247-A1 4,5-DIHYDR0-1H-PYRAZOLE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS Laboratorios del Dr. Esteve S.A. (ES) 2008-05-07 EP claimed
WO-2008051047-A1 AMINOPYRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-05-02 WO claimed
WO-2007009689-A1 4,5-DIHYDR0-1H-PYRAZOLE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR.ESTEVE, S.A. (ES) 2007-01-25 WO claimed
WO-2007009690-A1 HETEROCYCLYL-SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A (ES) 2007-01-25 WO claimed
EP-1581523-A1 PYRAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2005-10-05 EP claimed
EP-1551809-A1 PYRAZOLE COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP claimed
WO-2004056815-A1 PYRAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-08 WO claimed
WO-2004033434-A1 PYRAZOLE COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-04-22 WO claimed