SCHEMBL4607592

SCHEMBL4607592

[CH2]CCCCOCOCCCC(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
SCHEMBL7850713 0.91 MAOB (0.30)
SCHEMBL8778505 0.89 CES2 (0.31)
SCHEMBL7858250 0.86
SCHEMBL7858143 0.84 MAOB (0.31)
SCHEMBL4610241 0.82
SCHEMBL7857354 0.82
SCHEMBL7857355 0.79 MAOB (0.31)
SCHEMBL7858152 0.77
SCHEMBL5980460 0.77 MAOB (0.32)
SCHEMBL5597449 0.75 MAOB (0.35)

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658846-B1 N-(8,8,8-trifluorooctyl)-1,5-dideoxy-1,5-imino-D-glucitol for treating hepatitis virus infections UNITED THERAPEUTICS CORP (US) 2008-07-30 EP disclosed
US-20060264468-A1 Use of substituted-1, 5-dideoxy-1, 5-imino-D-glucitol compounds for treating hepatitis virus infections UNITED THERAPEUTICS CORPORATION 2006-11-23 US disclosed
EP-1658846-A1 Substituted-1,5-dideoxy-1,5-imino-D-glucitol compounds for treating hepatitis virus infections G.D. SEARLE &amp; CO. (US) 2006-05-24 EP disclosed
US-6747149-B2 ADMINISTERING VIRICIDES SUCH AS N-NONENYL GLUCOSAMINE, AND OPTIONALLY WITH MIXTURES OF NUCLEOSIDES, NUCLEOTIDES, IMMUNOMODULATORS OR IMMUNOSTIMULANTS FOR PROPHYLAXIS VIRAL DISEASES G. D. SEARLE & CO. 2004-06-08 US disclosed
US-20030220299-A1 Especially treating hepatitis B and hepatitis C; may be used alone, or in combination with another antiviral agent such as nucleosides, nucleotides, immunomodulators, and/or immunostimulants G.D. SEARLE & CO. 2003-11-27 US disclosed
US-20030195229-A1 Glucamine salts for treating hepatitis virus infections PHARMACIA CORPORATION 2003-10-16 US disclosed
US-6545021-B1 Including ether and ester derivatives as well as N-carbonyl derivatives G.D. SEARLE & CO. 2003-04-08 US disclosed
US-6515028-B1 Used alone, or in combination with another antiviral agents selected from among nucleosides, nucleotides, immunomodulators, immunostimulants or various combinations of such other agents G.D. SEARLE & CO. 2003-02-04 US disclosed
EP-1173161-A2 GLUCAMINE COMPOUNDS FOR TREATING HEPATITIS VIRUS INFECTIONS G.D. SEARLE &amp; CO. (US) 2002-01-23 EP disclosed
EP-1165080-A2 USE OF SUBSTITUTED-1,5-DIDEOXY-1,5-IMINO-D-GLUCITOL COMPOUNDS FOR TREATING HEPATITIS VIRUS INFECTIONS G.D. SEARLE &amp; CO. (US) 2002-01-02 EP disclosed
WO-2001008672-A2 GLUCAMINE COMPOUNDS FOR TREATING HEPATITIS VIRUS INFECTIONS G.D. SEARLE & CO. (US) 2001-02-08 WO disclosed
WO-2000047198-A2 USE OF SUBSTITUTED-1,5-DIDEOXY-1,5-IMINO-D-GLUCITOL COMPOUNDS FOR TREATING HEPATITIS VIRUS INFECTIONS G.D. SEARLE & CO. (US) 2000-08-17 WO disclosed