SCHEMBL1820972

SCHEMBL1820972

O=C(O[N+]1(O)C(=O)CCC1=O)C(F)(F)F

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
SCHEMBL15110455 0.73
SCHEMBL515929 0.71
SCHEMBL5785547 0.71
SCHEMBL3517149 0.70
SCHEMBL781569 0.68 TRPA1 (0.33)
SCHEMBL11574622 0.68
SCHEMBL1177488 0.67
SCHEMBL2405118 0.67 TSHR (0.30)
SCHEMBL19549311 0.67 TSHR (0.34)
SCHEMBL9839607 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110150880-A1 METHODS AND COMPOSITIONS RELATING TO SYNTHETIC BETA-1,6 GLUCOSAMINE OLIGOSACCHARIDES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2011-06-23 US claimed
EP-2315747-A2 METHODS AND COMPOSITIONS RELATING TO SYNTHETIC BETA-1,6 GLUCOSAMINE OLIGOSACCHARIDES The Brigham and Women's Hospital, Inc. (US) 2011-05-04 EP claimed
WO-2010011284-A2 METHODS AND COMPOSITIONS RELATING TO SYNTHETIC BETA-1,6 GLUCOSAMINE OLIGOSACCHARIDES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2010-01-28 WO claimed
US-20240077489-A1 STYRYL PHENOLS, DERIVATIVES AND THEIR USE IN METHODS OF ANALYTE DETECTION AAT BIOQUEST, INC. 2024-03-07 US disclosed
US-11867698-B2 Fluorogenic pH sensitive dyes and their method of use Life Technologies Corporation (US) 2024-01-09 US disclosed
US-11821901-B2 Styryl phenols, derivatives and their use in methods of analyte detection AAT BIOQUEST, INC. (US) 2023-11-21 US disclosed
US-20220175904-A1 METHODS AND COMPOSITIONS RELATING TO SYNTHETIC BETA-1,6 GLUCOSAMINE OLIGOSACCHARIDES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2022-06-09 US disclosed
US-11237170-B2 Styryl phenols, derivatives and their use in methods of analyte detection AAT BIOQUEST, INC. (US) 2022-02-01 US disclosed
US-11123416-B2 Methods and compositions relating to synthetic beta-1,6 glucosamine oligosaccharides THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2021-09-21 US disclosed
US-20210041465-A1 FLUOROGENIC PH SENSITIVE DYES AND THEIR METHOD OF USE Life Technologies Corporation 2021-02-11 US disclosed
US-20200378975-A1 STYRYL PHENOLS, DERIVATIVES AND THEIR USE IN METHODS OF ANALYTE DETECTION AAT BIOQUEST, INC. (US) 2020-12-03 US disclosed
WO-2010011284-A2 METHODS AND COMPOSITIONS RELATING TO SYNTHETIC BETA-1,6 GLUCOSAMINE OLIGOSACCHARIDES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2010-01-28 WO disclosed
EP-2064290-A2 FLUOROGENIC PH SENSITIVE DYES AND THEIR METHOD OF USE Life Technologies Corporation (US) 2009-06-03 EP disclosed
US-20080274907-A1 FLUOROGENIC PH SENSITIVE DYES AND THEIR METHOD OF USE INVITROGEN CORPORATION (US) 2008-11-06 US disclosed
EP-1984726-A2 METHODS, MIXTURES, KITS AND COMPOSITIONS PERTAINING TO ANALYTE DETERMINATION Applera Corporation (US) 2008-10-29 EP disclosed
WO-2008076524-A2 FLUOROGENIC PH SENSITIVE DYES AND THEIR METHOD OF USE Life Technologies Corporation (US) 2008-06-26 WO disclosed
US-20070218560-A1 Methods, Mixtures, Kits and Compositions Pertaining to Analyte Determination APPLERA CORPORATION. (US) 2007-09-20 US disclosed
WO-2007087534-A2 METHODS, MIXTURES, KITS AND COMPOSITIONS PERTAINING TO ANALYTE DETERMINATION APPLERA CORPORATION (US) 2007-08-02 WO disclosed
US-5721355-A Method of attaching a fluorescent label to an oligonucleotide PHARMACIA BIOTECH INC. (US) 1998-02-24 US disclosed
US-5583236-A PRIMERS FOR DNA SEQUENCING PHARMACIA BIOTECH INC. (US) 1996-12-10 US disclosed