SCHEMBL1997792

SCHEMBL1997792

O=[C]Cn1cnnn1

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
SCHEMBL2005545 0.79
SCHEMBL11159088 0.74 ALDH1A1 (0.58)
Ammonia Solution, Strong SCHEMBL28914391 0.67
SCHEMBL2444640 0.67
SCHEMBL29061272 0.65
SCHEMBL3643462 0.65
SCHEMBL14332206 0.64
SCHEMBL2438019 0.64
SCHEMBL28609350 0.63
SCHEMBL28611936 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666866-B2 Antithrombotic diamides ELI LILLY AND COMPANY (US) 2010-02-23 US claimed
EP-1819693-B1 ANTITHROMBOTIC DIAMIDES LILLY CO ELI (US) 2009-08-26 EP claimed
US-20090062271-A1 Antithrombotic Diamides ELI LILLY AND COMPANY (US) 2009-03-05 US claimed
EP-1819693-A1 ANTITHROMBOTIC DIAMIDES ELI LILLY AND COMPANY (US) 2007-08-22 EP claimed
WO-2006057868-A1 ANTITHROMBOTIC DIAMIDES ELI LILLY AND COMPANY (US) 2006-06-01 WO claimed
US-20040260084-A1 Novel c-3 s/o-and s/n formaldehe acetal derivatives of cephalosporins and their use as antibotics PFAENDLER HANS R (DE) 2004-12-23 US claimed
EP-0548338-B1 PROCESS FOR THE PREPARATION OF CEPHALOSPORINS INTERMEDIATES ANTIBIOTICOS SPA (IT) 1996-10-23 EP claimed
EP-0333174-B1 Peptide compounds, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1996-05-08 EP claimed
EP-0382411-B1 Delivery of cytotoxic agents LILLY CO ELI (US) 1994-12-07 EP claimed
WO-1994001137-A1 METHOD FOR DELIVERY OF CYTOTOXIC AGENTS AND COMPONENTS THEREOF HYBRITECH INCORPORATED (US) 1994-01-20 WO claimed
US-4159267-A Novel silyl ester azetidine-2-sulfenate intermediates and process for preparing desacetoxycephalosporins ELI LILLY AND COMPANY (US) 1979-06-26 US claimed
US-4144333-A Monocyclic beta-lactams with antibacterial activity SMITHKLINE CORPORATION (US) 1979-03-13 US claimed
EP-0000645-A1 Isopenicillins, processes for their preparation, and compositions containing them SMITHKLINE BECKMAN CORPORATION (US) 1979-02-07 EP claimed
US-4122086-A Isopenicillins SMITHKLINE CORPORATION (US) 1978-10-24 US claimed
US-4053286-A ACYLATION MERCK & CO., INC. (US) 1977-10-11 US claimed
US-4032521-A ANTIBIOTICS MERCK & CO., INC. (US) 1977-06-28 US claimed
US-4009159-A PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-02-22 US claimed
US-3972774-A BY AN ESTERASE ENZYME FROM BACILLUS ELI LILLY AND COMPANY (US) 1976-08-03 US claimed
US-3944545-A Process for preparing desacetoxycephalosporins ELI LILLY AND COMPANY (US) 1976-03-16 US claimed
US-3943126-A Process for acylating a 7-aminocephalosporin ELI LILLY AND COMPANY (US) 1976-03-09 US claimed