SCHEMBL6229995

SCHEMBL6229995

COC(CC(C#N)C=O)OC

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
SCHEMBL24469818 0.75
SCHEMBL8613961 0.69
SCHEMBL2558179 0.69
SCHEMBL11114416 0.68
SCHEMBL11677746 0.67
SCHEMBL9918679 0.67 TSHR (0.39)
SCHEMBL1476251 0.65
SCHEMBL1155325 0.64
SCHEMBL687347 0.64
SCHEMBL11452922 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005121160-A2 11, 12 CYCLIC THIOCARBAMATE MACROLIDE ANTIBACTERIAL AGENTS JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH & DEVELOPMENT (US) 2005-12-22 WO disclosed
US-20050250713-A1 11,12-Cyclic thiocarbamate macrolide antibacterial agents ZHU BIN 2005-11-10 US disclosed
EP-1513856-A1 3-DESCLADINOSYL-6-O-CARBAMOYL AND 6-O-CARBONOYL MACROLIDE ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-03-16 EP disclosed
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
US-6825172-B2 BACTERICIDES; AGAINST GRAMNEGATIVE, GRAMPOSITIVE BACTERIA JANSSEN PHARMACEUTICA, NV (BE) 2004-11-30 US disclosed
EP-1453847-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-09-08 EP disclosed
US-20040018994-A1 3-Descladinosyl-6-O-carbamoyl and 6-O-carbonoyl macrolide antibacterial agents JANSSEN PHARMACEUTICA N.V. (BE) 2004-01-29 US disclosed
WO-2003102010-A1 3-DESCLADINOSYL-6-O-CARBAMOYL AND 6-O-CARBONOYL MACROLIDE ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2003-12-11 WO disclosed
US-20030220272-A1 6-O-acyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-27 US disclosed
EP-1343798-A1 6-O-CARBAMOYL KETOLIDE DERIVATIVES OF ERYTHROMYCIN USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2003-09-17 EP disclosed
US-6613747-B2 Erythromycins to treat community-acquired pneumonia and upper and lower respiratory tract, skin and soft tissue, hospital-acquired lung, bone and joint infections; Staphyloccus; Enterococcus; Moraxella; Hemophilus; antibiotic resistance ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-09-02 US disclosed
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 WO disclosed
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-08-22 US disclosed
WO-2002046204-A1 6-0-CARBAMOYL KETOLIDE DERIVATIVES OF ERYTHROMYCIN USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-06-13 WO disclosed