SCHEMBL9253196

SCHEMBL9253196

CC(C)C(=O)C(O)C1CN1

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
SCHEMBL6914382 0.82 SLC1A2 (0.30)
SCHEMBL6913506 0.77 SLC6A3 (0.37)
SCHEMBL6914280 0.76 SLC6A3 (0.43)
SCHEMBL15095815 0.75
SCHEMBL6914144 0.74 GBA1 (0.33)
SCHEMBL19034907 0.73 DPP4 (0.30)
SCHEMBL9249651 0.70 ALOX5 (0.37)
SCHEMBL12685515 0.70
SCHEMBL6913823 0.69 CPN1 (0.34)
SCHEMBL6805621 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524689-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2013-09-03 US disclosed
US-8481502-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2013-07-09 US disclosed
US-20120283209-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-11-08 US disclosed
US-20120258925-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-10-11 US disclosed
US-20120135948-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-05-31 US disclosed
US-20120135948-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-05-31 US disclosed
WO-2011044502-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-02-23 WO disclosed
WO-2011044503-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-02-09 WO disclosed
WO-2011044498-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-02-09 WO disclosed
WO-2010132760-A9 ANTIBACTERIAL DERIVATIVES OF TOBRAMYCIN ACHAOGEN, INC. (US) 2011-11-03 WO disclosed
WO-2010132765-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-10-13 WO disclosed
WO-2010132757-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-08-25 WO disclosed
WO-2011044503-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-04-14 WO disclosed
WO-2011044498-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-04-14 WO disclosed
WO-2011044502-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-04-14 WO disclosed
WO-2010132760-A1 ANTIBACTERIAL DERIVATIVES OF TOBRAMYCIN ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010132759-A1 ANTIBACTERIAL DERIVATIVES OF DIBEKACIN ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010132765-A2 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010132757-A2 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010042851-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-04-15 WO disclosed