SCHEMBL1672599

SCHEMBL1672599

COC(N(C)N1C(=O)CCC1=O)=[N+](C)C.F[B-](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
SCHEMBL5469683 0.93
SCHEMBL4499284 0.74
SCHEMBL2057105 0.74
SCHEMBL131101 0.72
SCHEMBL23392480 0.69
SCHEMBL905422 0.67
SCHEMBL7263952 0.66
SCHEMBL4579554 0.65
SCHEMBL352075 0.64 CA12 (0.33)
SCHEMBL171608 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110294118-A1 WATER SOLUBLE FLUORESCENT COMPOUNDS BIOSEARCH TECHNOLOGIES, INC. (US) 2011-12-01 US disclosed
US-8030096-B2 Water-soluble rhodamine dyes conjugates APPLIED BIOSYSTEMS LLC (US) 2011-10-04 US disclosed
US-20110081688-A1 Water-Soluble Rhodamine Dyes Conjugates Life Technologies Corporation (US) 2011-04-07 US disclosed
US-7906629-B2 Protease inhibitor conjugates and antibodies useful in immunoassay ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2011-03-15 US disclosed
US-7868157-B2 low non-specific binding, photostable, ease of chemical modification to permit tuning of absorption and emission wavelengths and resistance to the formation of dimers; 1-(5-carboxy-pentyl)-2-[5-(1-ethyl-3,3-dimethyl-5-phosphono-1,3-dihydro-indol-2-ylidene)-penta-1,3-dienyl]-3,3-dimethyl-3H-indolium BIOSEARCH TECHNOLOGIES, INC. (US) 2011-01-11 US disclosed
US-7795042-B2 Water-soluble rhodamine dye conjugates APPLIED BIOSYSTEMS, LLC (US) 2010-09-14 US disclosed
US-7649085-B2 Saquinavir conjugates and antibodies useful in immunoassay ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2010-01-19 US disclosed
US-20090305433-A1 Water-Soluble Rhodamine Dye Conjugates APPLIED BIOSYSTEMS INC. (US) 2009-12-10 US disclosed
US-7592188-B2 environmentally sensitive fluorescent dye covalently linked to a binding domain which has specific affinity for a target molecule; fluorescence resonance energy transfer; detecting changes in the binding, conformational change; detecting human immunodeficiency virus THE SCRIPPS RESEARCH INSTITUTE (US) 2009-09-22 US disclosed
US-7569678-B2 Protease inhibitor conjugates and antibodies useful in immunoassay ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2009-08-04 US disclosed
US-6372907-B1 LABELLED RHODAMINE DYE-POLYPEPTIDE CONJUGATE, OR SALT THEREOF, COMPRISING RHODAMINE-TYPE PARENT XANTHENE RING SUBSTITUTED AT XANTHENE C-9 CARBON WITH SUBSTITUTED PHENYL RING APPTERA CORPORATION 2002-04-16 US disclosed
EP-1141137-A1 WATER-SOLUBLE RHODAMINE DYES AND CONJUGATES THEREOF Applera Corporation (US) 2001-10-10 EP disclosed
WO-2001051487-A1 NON-PEPTIDYL INHIBITORS OF VLA-4 DEPENDENT CELL BINDING USEFUL IN TREATING INFLAMMATORY, AUTOIMMUNE, AND RESPIRATORY DISEASES PFIZER PRODUCTS INC. (US) 2001-07-19 WO disclosed
EP-1102762-A2 2-SUBSTITUTED-1-PIPERIDYL BENZIMIDAZOLE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER INC. (US) 2001-05-30 EP disclosed
WO-2001032783-A1 WATER-SOLUBLE RHODAMINE DYES AND CONJUGATES THEREOF APPLERA CORPORATION (US) 2001-05-10 WO disclosed
US-6191278-B1 COMPRISING A RHODAMINE-TYPE PARENT RING HAVING ATTACHED TO THE XANTHENE C9 CARBON A PHENYL GROUP THAT IS SUBSTITUTED WITH CARBOXY OR SULFONATE GROUP, ONE TO THREE AMINOPYRIDINIUM GROUPS AND AN ALKYL- OR ARYLTHIO, AND OPTIONALLY OTHER GROUPS PE CORPORATION 2001-02-20 US disclosed
WO-2000008013-A2 2-SUBSTITUTED-1-PIPERIDYL BENZIMIDAZOLE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER PHARMACEUTICALS INC. (JP) 2000-02-17 WO disclosed
EP-0977766-A1 GLYCOCONJUGATED FLUORESCENT LABELING REAGENTS CARNEGIE-MELLON UNIVERSITY (US) 2000-02-09 EP disclosed
US-5877310-A INCUBATING A TARGET MATERIAL HAVING A FUNCTIONAL GROUP AND A GLYCOCONJUGATED FLUORESCENT COMPOUND OF A FLUOROPHORE,A SUGAR AND A REACTIVE GROUP FOR A PERIOD OF TIME SUFFICIENT TO REACT REACTIVE GROUP WITH FUNCTIONAL GROUP OF THE TARGET CARNEGIE MELLON UNIVERSITY (US) 1999-03-02 US disclosed
WO-1998049176-A1 GLYCOCONJUGATED FLUORESCENT LABELING REAGENTS CARNEGIE MELLON UNIVERSITY (US) 1998-11-05 WO disclosed