SCHEMBL452245

SCHEMBL452245

CCC(C)(C)ON=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
SCHEMBL3820725 0.78
SCHEMBL12869684 0.74
SCHEMBL3813542 0.74 FDPS (0.31)
SCHEMBL7962092 0.71
SCHEMBL5932596 0.71
SCHEMBL9386965 0.71
SCHEMBL12346288 0.71
Magnesium SCHEMBL7624047 0.67 TSHR (0.53)
SCHEMBL27393 0.67
SCHEMBL11815525 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 151 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118239819-A Method for preparing 4-halogenated-3-fluorotoluene 沈阳中化农药化工研发有限公司 2024-06-25 CN claimed
CN-117658831-A Preparation method of m-hydroxylamine intermediate 2-amino-1- (3- (benzyloxy) phenyl) propanol 天津科盛医药技术有限公司 2024-03-08 CN claimed
CN-113387903-A Synthesis method of parecoxib sodium impurity 宏冠生物药业有限公司 2021-09-14 CN claimed
CN-112778203-A Process for the preparation of 1H-indazole-3-carboxylic acid derivatives and granisetron and lonidamine 兰州交通大学 2021-05-11 CN claimed
CN-111943878-A Benzo beta-lactam and preparation method thereof 兰州交通大学 2020-11-17 CN claimed
WO-2010035047-A1 BINARY COMPOSITIONS COMPRISING AN NO-DONOR AND AN A-SMASE INHIBITOR FOR THE TREATMENT OF RESPIRATORY DISEASES PHARMAPATENTS GLOBAL LTD. (GB) 2010-04-01 WO claimed
US-20090054527-A1 Administration of capsaicinoids ALGORX (US) 2009-02-26 US claimed
EP-1587506-A4 ADMINISTRATION OF CAPSAICINOIDS ALGORX (US) 2006-05-24 EP claimed
EP-1587506-A2 ADMINISTRATION OF CAPSAICINOIDS Algorx (US) 2005-10-26 EP claimed
US-20040156931-A1 Administration of capsaicinoids ALGORX 2004-08-12 US claimed
WO-2004056305-A2 ADMINISTRATION OF CAPSAICINOIDS ALGORX (US) 2004-07-08 WO claimed
US-5646181-A ORGANIC NITRITE COMPOUNDS RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1997-07-08 US claimed
US-5489610-A TREATING CONDITIONS SUCH AS ANGINA PECTORIS, ISCHEMIC DISEASES, CONGESTIVE HEART FAILURE, CONTROLLING HYPERTENSION AND IMPOTENCE IN MALE PATIENTS RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 1996-02-06 US claimed
EP-4733296-A1 PROCESS FOR THE PREPARATION OF 2-C3-C4 ALKANONE OXIMES BASF SE (DE) 2026-04-29 EP disclosed
CN-113166004-B Method for preparing 5-bromo-1, 3-dichloro-2-fluorobenzene 巴斯夫欧洲公司 2024-11-29 CN disclosed
CN-118239819-A Method for preparing 4-halogenated-3-fluorotoluene 沈阳中化农药化工研发有限公司 2024-06-25 CN disclosed
EP-0514143-A1 Method of producing alkali metal azides NIPPON CARBIDE KOGYO KABUSHIKI KAISHA (JP) 1992-11-19 EP disclosed
EP-0016274-B1 2-AZAERGOLINES AND 2-AZA-8(OR 9)-ERGOLENES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ELI LILLY AND COMPANY (US) 1983-02-16 EP disclosed
EP-0016274-A1 2-Azaergolines and 2-aza-8(or 9)-ergolenes, process for their preparation and pharmaceutical compositions containing them ELI LILLY AND COMPANY (US) 1980-10-01 EP disclosed
US-4201862-A NEUROLEPTIC AGENTS ELI LILLY AND COMPANY (US) 1980-05-06 US disclosed