⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25354161 | 0.77 | OPRL1 (0.30) | — | |
| SCHEMBL14783914 | 0.73 | — | — | |
| SCHEMBL14740559 | 0.71 | PKM (0.31) | — | |
| SCHEMBL20580131 | 0.71 | — | — | |
| SCHEMBL2845534 | 0.69 | — | — | |
| SCHEMBL18394706 | 0.69 | — | — | |
| SCHEMBL29821839 | 0.69 | — | — | |
| SCHEMBL16635849 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL4188222 | 0.67 | — | — | |
| Formic Acid SCHEMBL31629964 | 0.65 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1805166-B1 | QUINOLINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2011-07-27 | — | — | EP | claimed |
| US-7534891-B2 | Quinoline derivatives as H3R inverse agonists | HOFFMAN-LA ROCHE INC. (US) | 2009-05-19 | — | — | US | claimed |
| JP-2008517003-A | — | — | 2008-05-22 | — | — | JP | claimed |
| EP-1805166-A1 | QUINOLINE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2007-07-11 | — | — | EP | claimed |
| WO-2006045416-A1 | QUINOLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2006-05-04 | — | — | WO | claimed |
| US-20060084679-A1 | Quinoline derivatives as H3R inverse agonists | HOFFMANN-LA ROCHE INC. | 2006-04-20 | — | — | US | claimed |
| US-7723325-B2 | 5-amido-indole-2-carboxamide derivatives | HOFFMAN-LA ROCHE INC. (US) | 2010-05-25 | — | — | US | disclosed |
| US-20090264418-A1 | 5-AMIDO-INDOLE-2-CARBOXAMIDE DERIVATIVES | NETTEKOVEN MATTHIAS | 2009-10-22 | — | — | US | disclosed |
| US-7601711-B2 | Such as [5-(4-cyclopentyl-piperazine-1-carbonyl)-1H-indol-2-yl]-morpholin-4-yl-methanone; histamine H3-antagonists | HOFFMANN-LA ROCHE INC. (US) | 2009-10-13 | — | — | US | disclosed |
| US-7534891-B2 | Quinoline derivatives as H3R inverse agonists | HOFFMAN-LA ROCHE INC. (US) | 2009-05-19 | — | — | US | disclosed |
| EP-2010487-A1 | 5-AMIDO-2-CARBOXAMIDE INDOLES | F. Hoffmann-Roche AG (CH) | 2009-01-07 | — | — | EP | disclosed |
| WO-2007115938-A1 | 5-AMIDO-2-CARBOXAMIDE INDOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2007-10-18 | — | — | WO | disclosed |
| US-20070244125-A1 | 5-amido-indole-2-carboxamide derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2007-10-18 | — | — | US | disclosed |
| EP-1805166-A1 | QUINOLINE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2007-07-11 | — | — | EP | disclosed |
| WO-2006045416-A1 | QUINOLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2006-05-04 | — | — | WO | disclosed |
| US-20060084679-A1 | Quinoline derivatives as H3R inverse agonists | HOFFMANN-LA ROCHE INC. | 2006-04-20 | — | — | US | disclosed |