⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4787333 | 0.69 | — | — | |
| SCHEMBL15222 | 0.69 | — | — | |
| SCHEMBL7158013 | 0.69 | — | — | |
| Water SCHEMBL2152723 | 0.69 | — | — | |
| SCHEMBL13621673 | 0.69 | — | — | |
| SCHEMBL7533725 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL375468 | 0.69 | — | — | |
| Isothiocyanate SCHEMBL28482868 | 0.67 | — | — | |
| SCHEMBL8619161 | 0.67 | — | — | |
| SCHEMBL6850150 | 0.67 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2373634-A1 | MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS | Mochida Pharmaceutical Co., Ltd. (JP) | 2011-10-12 | — | — | EP | claimed |
| US-20110135650-A1 | MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS | MERCK SHARP & DOHME LLC | 2011-06-09 | — | — | US | claimed |
| US-8097758-B2 | Isoserine derivatives for use as coagulation factor IXa inhibitors | SANOFI-AVENTIS (FR) | 2012-01-17 | — | — | US | disclosed |
| US-8044208-B2 | inhibit the enzyme TAFIa (activated thrombin-activatable fibrinolysis inhibitor); 3-(6-aminopyridin-3-yl)-2-{1-[5-(5-chlorothiophen-2-yl)isoxazol-3-ylmethyl]-1H-imidazol-4-yl}propionic acid | SANOFI-AVENTIS (FR) | 2011-10-25 | — | — | US | disclosed |
| EP-1930330-B1 | Pleuromutilin derivatives as antimicrobials | SMITHKLINE BEECHAM LTD (GB) | 2011-09-21 | — | — | EP | disclosed |
| US-20110144151-A1 | NOVEL PROCESS, SALTS, COMPOSITION AND USE | GLAXO GROUP LIMITED | 2011-06-16 | — | — | US | disclosed |
| US-20110135650-A1 | MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS | MERCK SHARP & DOHME LLC | 2011-06-09 | — | — | US | disclosed |
| US-7875630-B2 | reacting exo-8-methyl-8-azabicyclo[3.2.1]octan-3-thiol with mutilin 14-methanesulfonyloxyacetate in the presence of a tetra-n-butylammonium hydrogensulfate phase transfer catalyst, 4-methyl-2-pentanone, and aqueous NaOH to form mutilin 14-(exo-8-methyl-8-azabicyclo[3.2. 1]oct-3-ylsulfanyl)-acetate | GLAXO GROUP LIMITED | 2011-01-25 | — | — | US | disclosed |
| US-20060276503-A1 | Novel process salts compositions and use | GLAXO GROUP LIMITED | 2006-12-07 | — | — | US | disclosed |