SCHEMBL10043069

SCHEMBL10043069

C=C(NC)C(C)=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
SCHEMBL1280041 0.73
SCHEMBL10269361 0.73
SCHEMBL12991332 0.72
SCHEMBL8348701 0.71
SCHEMBL12562103 0.71
Hydrochloric Acid SCHEMBL30636037 0.69
SCHEMBL8214989 0.69
Ethylene SCHEMBL28608631 0.67
SCHEMBL18484283 0.67
SCHEMBL18687256 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023135260-A1 NOVEL AMINE-SUBSTITUTED PHTHALAZINES AND DERIVATIVES AS SOS1 INHIBITORS JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2023-07-20 WO disclosed
US-11576979-B2 Pyrrolobenzodiazepine prodrugs and antibody conjugates thereof GENENTECH, INC. (US) 2023-02-14 US disclosed
US-20190175749-A1 PYRROLOBENZODIAZEPINE PRODRUGS AND ANTIBODY CONJUGATES THEREOF GENENTECH, INC. (US) 2019-06-13 US disclosed
WO-2018031662-A1 PYRROLOBENZODIAZEPINE PRODRUGS AND ANTIBODY CONJUGATES THEREOF GENENTECH, INC. (US) 2018-02-15 WO disclosed
WO-2017124034-A1 TRANSFER RNA LIGAND ADDUCT LIBRARIES GALEN BIOTECHNOLOGIES, LLC (US) 2017-07-20 WO disclosed
US-8349826-B2 Oxazolidinone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2013-01-08 US disclosed
US-20120141423-A1 NOVEL PAENIBACILLUS POLYMYXA STRAIN, ANTIBIOTIC ANTIMICROBIAL AGENTS AND METHODS OF THEIR USE THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION 2012-06-07 US disclosed
EP-2069473-B1 ANTIBIOTIC ANTIMICROBIAL AGENTS AND METHODS OF THEIR USE UNIV OHIO STATE RES FOUND (US) 2011-04-13 EP disclosed
US-20100331308-A1 OXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-12-30 US disclosed
US-20100152460-A1 PROCESS FOR THE PREPARATION OF OPIOID MODULATORS CAI CHAOZHONG 2010-06-17 US disclosed
US-20100036132-A1 PROCESS FOR THE PREPARATION OF OPIOD MODULATORS CAI CHAOZHONG 2010-02-11 US disclosed
US-7629488-B2 2-tert-Butoxycarbonylamino-3-(4-carbamoyl-2,6-dimethylphenyl)propionic acid; treatment and prevention of pain and gastrointestinal disorders; cost efficiency, industrial scale production JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-08 US disclosed
EP-2116251-A1 Antibotic antimicrobial agents and methods of their use The Ohio State University Research Foundation (US) 2009-11-11 EP disclosed
US-7402407-B1 Chemically targeted positional identification of post-translationally phosphorylated peptides CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-07-22 US disclosed
US-20070099256-A1 Chemical derivatization, detection, and identification of peptide and protein modifications Apricot Ideas, Inc. 2007-05-03 US disclosed
US-20070087447-A1 System and method of free radical initiated protein sequencing CALIFORNIA INSTITUTE OF TECHNOLOGY 2007-04-19 US disclosed