SCHEMBL1243787

SCHEMBL1243787

C[N+]1([O-])CC[NH+]([O-])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
SCHEMBL4002077 0.71
SCHEMBL14999459 0.67
SCHEMBL420124 0.62
SCHEMBL18843427 0.62 KDM4E (0.31)
SCHEMBL145953 0.62
SCHEMBL158499 0.60
SCHEMBL1597291 0.58
SCHEMBL1491831 0.58
SCHEMBL7424166 0.58 TTR (0.31)
SCHEMBL2386966 0.58

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8679773-B2 Kits pertaining to analyte determination DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2014-03-25 US disclosed
EP-2251334-B1 Labeling reagents and labeled analytes DH TECHNOLOGIES DEV PTE LTD (SG) 2013-08-14 EP disclosed
US-8273706-B2 Isobarically labeled analytes and fragment ions derived therefrom DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2012-09-25 US disclosed
US-20110217720-A1 Compositions and Kits Pertaining to Analyte Determination PAPPIN DARRYL J C 2011-09-08 US disclosed
EP-1588145-B1 METHODS, MIXTURES, KITS AND COMPOSITIONS PERTAINING TO ANALYTE DETERMINATION LIFE TECHNOLOGIES CORP (US) 2011-07-06 EP disclosed
US-7947513-B2 Sets and compositions pertaining to analyte determination DH Technologies Ptd. Ltd. (SG) 2011-05-24 US disclosed
US-7910059-B2 For the determination of an analyte or analytes such as proteins, peptides, nucleic acids, carbohydrates, lipids, steroids and small molecules by mass analysis DH TECHNOLOGIES PTE. LTD. (SG) 2011-03-22 US disclosed
US-20110045516-A1 Kits Pertaining to Analyte Determination APPLERA CORPORATION (US) 2011-02-24 US disclosed
EP-2251334-A1 Labeling reagents and labeled analytes Life Technologies Corporation (US) 2010-11-17 EP disclosed
US-7799576-B2 Isobaric labels for mass spectrometric analysis of peptides and method thereof DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2010-09-21 US disclosed
US-7195751-B2 Compositions and kits pertaining to analyte determination APPLERA CORPORATION (US) 2007-03-27 US disclosed
EP-1701945-A1 LABELING REAGENTS, LABELED ANALYTES, INCLUDING MIXTURES THEREOF, AND FRAGMENT IONS DERIVED THEREFROM AND METHODS FOR THE ANALYSIS THEREOF Applera Corporation (US) 2006-09-20 EP disclosed
US-20060105416-A1 Methods, compositions and kits pertaining to analyte determination APPLERA CORPORATION (US) 2006-05-18 US disclosed
EP-1588145-A2 METHODS, MIXTURES, KITS AND COMPOSITIONS PERTAINING TO ANALYTE DETERMINATION Applera Corporation (US) 2005-10-26 EP disclosed
WO-2005068446-A1 LABELING REAGENTS, LABELED ANALYTES, INCLUDING MIXTURES THEREOF, AND FRAGMENT IONS DERIVED THEREFROM AND METHODS FOR THE ANALYSIS THEREOF APPLERA CORPORATION (US) 2005-07-28 WO disclosed
US-20050148087-A1 Isobarically labeled analytes and fragment ions derived therefrom APPLERA CORPORATION 2005-07-07 US disclosed
US-20040220412-A1 Compositions and kits pertaining to analyte determination APPLE CORPORATION 2004-11-04 US disclosed
US-20040219686-A1 Methods and mixtures pertaining to analyte determination APPLIED BIOSYSTEMS, LLC 2004-11-04 US disclosed
US-20040219685-A1 Methods and mixtures pertaining to analyte determination using electrophilic labeling reagents APPLERA CORPORATION 2004-11-04 US disclosed
WO-2004070352-A2 METHODS, MIXTURES, KITS AND COMPOSITIONS PERTAINING TO ANALYTE DETERMINATION APPLERA CORPORATION (US) 2004-08-19 WO disclosed