SCHEMBL564379

SCHEMBL564379

NC(F)C(O)C(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
Hydrochloric Acid SCHEMBL29239228 0.96
SCHEMBL25917 0.74
SCHEMBL25975095 0.70
SCHEMBL14627912 0.70
SCHEMBL15153951 0.70
SCHEMBL215194 0.69
SCHEMBL8210654 0.67
SCHEMBL23200783 0.65 USP2 (0.50)
SCHEMBL3797376 0.65 USP2 (0.50)
SCHEMBL4957561 0.65 USP2 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9085508-B2 Nitric oxide releasing amino acid ester compound, composition and method of use ORAL DELIVERY TECHNOLOGY LTD. (US) 2015-07-21 US disclosed
EP-2342175-B1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE NITROGENIX INC (VG) 2015-05-27 EP disclosed
US-8846674-B2 Nitric oxide enhancing prostaglandin compounds, compositions and methods of use NICOX, S.A. (FR) 2014-09-30 US disclosed
US-20140057873-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE FARBER MICHAEL (US) 2014-02-27 US disclosed
US-20130317094-A1 USE OF ELLAGITANNINS AS INHIBITORS OF BACTERIAL QUORUM SENSING THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2013-11-28 US disclosed
US-20120034321-A1 NITRIC OXIDE ENHANCING PROSTAGLANDIN COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. 2012-02-09 US disclosed
US-8067464-B2 Compositions and methods using apocynin compounds and nitric oxide donors NITROMED, INC. (US) 2011-11-29 US disclosed
US-8067414-B2 Nitric oxide enhancing prostaglandin compounds, compositions and methods of use NICOX S.A. (FR) 2011-11-29 US disclosed
US-20110195935-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE BENOIT & COTE (CA) 2011-08-11 US disclosed
EP-2342175-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE Nitrogenix Inc. (VG) 2011-07-13 EP disclosed
WO-2006020244-A2 COMPOSITIONS AND METHODS RELATED TO HEART FAILURE NITROMED, INC. (US) 2006-02-23 WO disclosed
US-20060014828-A1 Compositions and methods related to heart failure NITROMED, INC. (US) 2006-01-19 US disclosed
US-20060014829-A1 Methods for reducing hospitalizations related to heart failure NITROMED, INC. (US) 2006-01-19 US disclosed
WO-2005117869-A1 COMBINATIONS COMPRISING (S)-AMLODIPINE AND A CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITOR, AND METHODS FOR REDUCING HYPERTENSION SEPRACOR INC. (US) 2005-12-15 WO disclosed
WO-2005070006-A2 NITROSATED AND/OR NITROSYLATED COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2005-08-04 WO disclosed
WO-2005030135-A2 NITROSATED GLUTAMIC ACID COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2005-04-07 WO disclosed
WO-2005023183-A2 NITROSATED AD NITROSYLATED DIURETIC COMPOUDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2005-03-17 WO disclosed
US-20050059655-A1 Nitrosated and nitrosylated diuretic compounds, compositions and methods of use NITROMED, INC. (US) 2005-03-17 US disclosed
WO-2005023182-A2 NITROSATED AND NITROSYLATED CARDIOVASCULAR COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2005-03-17 WO disclosed
WO-2005018561-A2 NITROSATED AND NITROSYLATED CARDIOVASCULAR COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2005-03-03 WO disclosed