SCHEMBL5099008

SCHEMBL5099008

CNNC(=S)NC1CC1

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
SCHEMBL1544580 0.79
SCHEMBL11562573 0.78 SMN1; SMN2 (0.82)
SCHEMBL21560406 0.72 ALDH1A1 (0.80)
SCHEMBL8551209 0.72 GAA (0.58)
SCHEMBL15101128 0.71
SCHEMBL14564699 0.70 CYP3A4 (0.68)
SCHEMBL21914550 0.70
SCHEMBL8396968 0.70
SCHEMBL5098857 0.69
SCHEMBL7745318 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7317101-B2 Antibacterial cephalosporins SANDOZ GMBH (AT) 2008-01-08 US disclosed
EP-1221446-B1 Antibacterial cephalosporins SANDOZ AG (CH) 2005-04-06 EP disclosed
US-20030191105-A1 Antibacterial cephalosporins NABRIVA THERAPEUTICS AG (AT) 2003-10-09 US disclosed
US-6531465-B1 7-acylamino-3-(imino)methyl cephalosporins; 7-[[(5-Amino-1,2,4-thiadiazol-3-yl)-(Z)-(fluormethoxyimino)acetyl]amino]-3-[[(piperazinoiminomethyl)hydrazono]methyl]-3-cephem-4-carboxylic acid; imination of 3-methyl derivative; acylation at the 7-amino; 1-[hydrazino(methylimino)methyl]piperazine intermediate BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 2003-03-11 US disclosed
EP-0824535-B1 ANTIBACTERIAL CEPHALOSPORINS BIOCHEMIE GMBH (AT) 2003-02-26 EP disclosed
EP-1221446-A1 Antibacterial cephalosporins BIOCHEMIE Gesellschaft m.b.H. (AT) 2002-07-10 EP disclosed
EP-0824535-A1 ANTIBACTERIAL CEPHALOSPORINS BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 1998-02-25 EP disclosed
WO-1996035692-A1 ANTIBACTERIAL CEPHALOSPORINS BIOCHEMIE GESELLSCHAFT MBH (AT) 1996-11-14 WO disclosed