SCHEMBL388415

SCHEMBL388415

[CH2]NCCCP(=O)(O)O

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
SCHEMBL27618608 0.83
SCHEMBL388416 0.78
SCHEMBL4427913 0.76
SCHEMBL7880658 0.74 TYMS (0.55)
SCHEMBL20235 0.73 TYMS (0.85)
SCHEMBL182326 0.73 TYMS (1.00)
SCHEMBL14210023 0.70 TYMS (0.58)
SCHEMBL28871565 0.70 TYMS (0.50)
Ammonia Solution, Strong SCHEMBL1777238 0.70 TYMS (0.92)
Ammonia Solution, Strong SCHEMBL1643223 0.70 TYMS (0.92)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160211-A1 GLYCOPEPTIDE PHOSPHONATE DERIVATIVES THERAVANCE, INC. (US) 2010-06-24 US claimed
US-20040063916-A1 Bactericides; antibiotics CUMBERLAND PHARMACEUTICALS INC. 2004-04-01 US claimed
JP-2004501161-A 2004-01-15 JP claimed
US-20030207797-A1 Glycopeptides that are substituted with one or more substituents each comprising one or more phosphono groups; and pharmaceutical compositions containing such glycopeptide derivatives. The disclosed glycopeptide derivatives are useful CUMBERLAND PHARMACEUTICALS INC. 2003-11-06 US claimed
US-6635618-B2 Glycopeptide phosphonate derivatives THERAVANCE, INC. 2003-10-21 US claimed
EP-1292612-A2 GLYCOPEPTIDE PHOSPHONATE DERIVATIVES Advanced Medicine, Inc. (US) 2003-03-19 EP claimed
US-20020022590-A1 Useful as antibiotics; reduced tissue accumulation and/or nephrotoxicity when administered to a mammal; useful against vancomycin-resistant microorganisms CUMBERLAND PHARMACEUTICALS INC. 2002-02-21 US claimed
WO-2001098328-A2 GLYCOPEPTIDE PHOSPHONATE DERIVATIVES THERAVANCE, INC. (US) 2001-12-27 WO claimed
US-8859506-B2 Glycopeptide phosphonate derivatives THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC (US) 2014-10-14 US disclosed
US-20140024604-A1 GLYCOPEPTIDE PHOSPHONATE DERIVATIVES THERAVANCE, INC. (US) 2014-01-23 US disclosed
US-8541375-B2 Glycopeptide phosphonate derivatives THERAVANCE, INC. (US) 2013-09-24 US disclosed
US-20120283195-A1 GLYCOPEPTIDE PHOSPHONATE DERIVATIVES THERAVANCE, INC. (US) 2012-11-08 US disclosed
US-8158580-B2 Pharmaceutical compositions containing a glycopeptide antibiotic and a cyclodextrin THERAVANCE, INC. (US) 2012-04-17 US disclosed
US-8101575-B2 Glycopeptide phosphonate derivatives THERAVANCE, INC. (US) 2012-01-24 US disclosed
WO-2003018608-A2 PROCESS FOR PURIFYING GLYCOPEPTIDE PHOSPHONATE DERIVATIVES THERAVANCE, INC. (US) 2003-03-06 WO disclosed
EP-1278549-A2 CYCLODEXTRIN CONTAINING GLYCOPEPTIDE ANTIBIOTIC COMPOSITIONS Advanced Medicine, Inc. (US) 2003-01-29 EP disclosed
US-20020077280-A1 Pharmaceutical compositions containing a glycopeptide antibiotic and a cyclodextrin CUMBERLAND PHARMACEUTICALS INC. 2002-06-20 US disclosed
US-20020022590-A1 Useful as antibiotics; reduced tissue accumulation and/or nephrotoxicity when administered to a mammal; useful against vancomycin-resistant microorganisms CUMBERLAND PHARMACEUTICALS INC. 2002-02-21 US disclosed
WO-2001098328-A2 GLYCOPEPTIDE PHOSPHONATE DERIVATIVES THERAVANCE, INC. (US) 2001-12-27 WO disclosed
WO-2001082971-A2 CYCLODEXTRIN CONTAINING GLYCOPEPTIDE ANTIBIOTIC COMPOSITIONS THERAVANCE, INC. (US) 2001-11-08 WO disclosed