SCHEMBL905422

SCHEMBL905422

C[O+]=C(N(C)C)N(C)N1C(=O)CCC1=O.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
SCHEMBL5469680 0.93
SCHEMBL26220 0.73
SCHEMBL8093995 0.69
SCHEMBL1672599 0.67
SCHEMBL352075 0.66 CA12 (0.33)
SCHEMBL4579560 0.66
SCHEMBL560211 0.63
SCHEMBL8736481 0.60 ALDH1A1 (0.38)
SCHEMBL2248282 0.59
Hydrochloric Acid SCHEMBL8094540 0.58 PARL (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2264065-B1 NOVEL INSULIN DERIVATIVES NOVO NORDISK AS (DK) 2017-03-08 EP disclosed
US-20140349925-A1 NOVEL INSULIN DERIVATIVES NOVO NORDISK AS (DK) 2014-11-27 US disclosed
US-8828923-B2 Insulin derivatives NOVO NORDISK A/S (DK) 2014-09-09 US disclosed
EP-2275439-B1 Novel insulin derivatives NOVO NORDISK AS (DK) 2014-03-26 EP disclosed
EP-2107069-B1 Novel insulin derivatives NOVO NORDISK AS (DK) 2013-01-16 EP disclosed
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
EP-2287184-A2 Novel insulin derivatives NOVO NORDISK A/S (DK) 2011-02-23 EP 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
EP-1078023-A1 LUMINESCENT COMPOUNDS Terpetschnig, Ewald A. (US) 2001-02-28 EP 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
US-6083708-A BRANCHING COMPOUND WITH AT LEAST TWO TERMINI, EACH OF WHICH HAS PREFERENTIAL ENZYME ACTIVITY DADE BEHRING INC. (US) 2000-07-04 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
WO-1999051702-A1 LUMINESCENT COMPOUNDS TERPETSCHNIG EWALD A (US) 1999-10-14 WO 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