SCHEMBL252596

SCHEMBL252596

N#CC1(O)C=CC=CC1

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
Water SCHEMBL6337368 1.00
SCHEMBL29695880 0.76
SCHEMBL28189606 0.70
Acetonitrile SCHEMBL28847279 0.68
SCHEMBL10906818 0.67
SCHEMBL29054927 0.67
SCHEMBL5532080 0.67
SCHEMBL20663200 0.67
SCHEMBL8731778 0.67
SCHEMBL5820199 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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120040432-A Triazine benzene compound, composition, condensate and preparation method and application thereof 北京化工大学 2025-05-27 CN claimed
US-20130157854-A1 CHIMERIC GENE WITH SEVERAL HERBICIDE TOLERANCE GENES, PLANT CELL AND PLANT RESISTANT TO SEVERAL HERBICIDES BAYER S.A.S. (FR) 2013-06-20 US claimed
US-20120005769-A1 CHIMERIC GENE WITH SEVERAL HERBICIDE TOLERANCE GENES, PLANT CELL AND PLANT RESISTANT TO SEVERAL HERBICIDES BAYER S.A.S. (FR) 2012-01-05 US claimed
US-7935869-B2 Chimeric gene with several herbicide tolerance genes, plant cell and plant resistant to several herbicides BAYER S.A.S. (FR) 2011-05-03 US claimed
US-20100029481-A1 CHIMERIC GENE WITH SEVERAL HERBICIDE TOLERANCE GENES, PLANT CELL AND PLANT RESISTANT TO SEVERAL HERBICIDES BAYER CROPSCIENCE S.A. (FR) 2010-02-04 US claimed
US-20080028481-A1 CHIMERIC GENE CONTAINING SEVERAL HERBICIDE TOLERANCE GENES, PLANT CELL AND PLANT RESISTANT TO SEVERAL HERBICIDES BAYER CROPSCIENCE S.A. (FR) 2008-01-31 US claimed
CN-1230996-A Chimeric genes containing several herbicide tolerance genes, plant cells and plants tolerant to several herbicides RHONE POULENC AGROCHIMIE (FR) 1999-10-06 CN claimed
EP-4727546-A2 PROTEOSOME COMPLEX INHIBITORS TARGETING CLPP1P2 PROTEASE The Global Alliance for TB Drug Development, Inc. (US) 2026-04-22 EP disclosed
CN-120040432-A Triazine benzene compound, composition, condensate and preparation method and application thereof 北京化工大学 2025-05-27 CN disclosed
WO-2025019626-A2 PROTEOSOME COMPLEX INHIBITORS TARGETING CLPP1P2 PROTEASE THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2025-01-23 WO disclosed
US-20230040909-A1 INDOLE CARBOXAMIDE COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT INC (US) 2023-02-09 US disclosed
US-20220396586-A1 THIAZOLE CARBOXAMIDE COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT INC (US) 2022-12-15 US disclosed
EP-4034106-A1 THIAZOLE CARBOXAMIDE COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS The Global Alliance for TB Drug Development, Inc. (US) 2022-08-03 EP disclosed
WO-2010042638-A2 HPMA - DOCETAXEL OR GEMCITABINE CONJUGATES AND USES THEREFORE LEE YOUNG BOK (US) 2010-04-15 WO disclosed
US-7265143-B2 C-4 substituted retinoids UNIVERSITY OF MARYLAND, BALTIMORE (US) 2007-09-04 US disclosed
US-6699695-B1 FOR EXAMPLE, CONVERTING 2-HYDROXY-4-METHYLTHIOBUTYRONITRILE INTO THE CORRESPONDING AMIDE, WHICH IS A PRECURSOR TO THE FEED SUPPLEMENT 2-HYDROXY-4-METHYLTHIOBUTYRIC ACID DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-03-02 US disclosed
US-20030162823-A1 Retinoids such as 4-(1H-imidazol-1-yl)-13-methylretinoate and/or isomers, administered for prophylaxis cancers and skin disorders UNIVERSITY OF MARYLAND 2003-08-28 US disclosed
CN-1117629-C Carbonylation catalyst system DSM NV (NL) 2003-08-13 CN disclosed
EP-1055724-A1 MICROORGANISMS AND PROCESS FOR PRODUCING AMIDE COMPOUNDS Daicel Chemical Industries, Ltd. (JP) 2000-11-29 EP disclosed
CN-1252015-A Carbonylation catalyst system DSM NV (NL) 2000-05-03 CN disclosed