SCHEMBL100585

SCHEMBL100585

C/N=C(C)\C=C(/C)NC

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
SCHEMBL8162620 1.00
SCHEMBL8162622 1.00
SCHEMBL19732010 1.00
SCHEMBL23825369 0.74 NOS1 (0.32)
SCHEMBL17072599 0.74
SCHEMBL23825368 0.74 NOS1 (0.32)
SCHEMBL25619682 0.74 NOS1 (0.32)
SCHEMBL23825500 0.72
SCHEMBL3758675 0.72 TSHR (0.34)
SCHEMBL23825499 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192749-A1 PROTECTED FLUORESCENT REAGENT COMPOUNDS PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2023-06-22 US disclosed
US-9957291-B2 Protected fluorescent reagent compounds PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2018-05-01 US disclosed
US-9920365-B2 Functionalized cyanine dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2018-03-20 US disclosed
US-20170321268-A1 MODIFIED NUCLEOTIDE REAGENTS PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2017-11-09 US disclosed
EP-3239137-A1 (5R)-4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AS WELL AS 1-(2-CHLOROACETYL)-4-PIPERIDINE-CARBONITRILE AND -CARBOXAMIDE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF E.G. 4-[4-[(5R)-4,5-DIHYDRO-ISOXAZOL-3-YL]-THIAZOL-2-YL]-PIPERIDINE DERIVATIVES AS FUNGICIDES FOR CROP PROTECTION E. I. du Pont de Nemours and Company (US) 2017-11-01 EP disclosed
US-9777320-B2 Molecular adaptors for dye conjugates PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2017-10-03 US disclosed
US-20170183501-A1 Cyanine Dyes PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2017-06-29 US disclosed
US-20170145502-A1 MODIFIED NUCLEOTIDE REAGENTS PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2017-05-25 US disclosed
US-20170145495-A1 PROTECTED DYE-LABELED REAGENTS PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2017-05-25 US disclosed
US-20170145496-A1 LABELED NUCLEOTIDE ANALOGS, REACTION MIXTURES, AND METHODS AND SYSTEMS FOR SEQUENCING PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2017-05-25 US disclosed
US-20150050659-A1 PROTECTED FLUORESCENT REAGENT COMPOUNDS PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2015-02-19 US disclosed
US-8889886-B2 Cyanine dyes PACIFIC BIOSCIENCES, INC. (US) 2014-11-18 US disclosed
US-8669374-B2 Functionalized cyanine dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2014-03-11 US disclosed
US-8343463-B2 Optical imaging agent NUMIRA BIOSCIENCES INC. (US) 2013-01-01 US disclosed
US-20120058469-A1 FUNCTIONALIZED CYANINE DYES (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-08 US disclosed
US-20120058473-A1 Molecular Adaptors for Dye Conjugates PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-08 US disclosed
US-20120058482-A1 FUNCTIONALIZED CYANINE DYES (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-08 US disclosed
US-20120052507-A1 PHOSPHOLINKED DYE ANALOGS WITH AN AMINO ACID LINKER PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-01 US disclosed
US-20120052506-A1 CYANINE DYES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-01 US disclosed
US-20110027191-A1 OPTICAL IMAGING AGENT NUMIRA BIOSCIENCES, INC. (US) 2011-02-03 US disclosed