⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4203513 | 0.64 | — | — | |
| SCHEMBL4354135 | 0.61 | — | — | |
| SCHEMBL359416 | 0.61 | — | — | |
| SCHEMBL21336312 | 0.60 | — | — | |
| SCHEMBL13973142 | 0.57 | — | — | |
| SCHEMBL9677469 | 0.57 | — | — | |
| SCHEMBL22182464 | 0.56 | — | — | |
| SCHEMBL21339768 | 0.56 | — | — | |
| SCHEMBL2503601 | 0.56 | — | — | |
| SCHEMBL14367461 | 0.55 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7482456-B2 | antiasthmatic; antiinflammatory; minimal side effects; 8-(3-{2-(3-chlorophenyl)-4-[4-(methylsulfonyl)phenyl]-1,3-thiazol-5-yl}phenyl)-6-[1-methyl-1-(methylsulfonyl)ethyl]quinoline; 2-[5-(3-{6-[1-methyl-1-(methylsulfonyl)ethyl]quinolin-8-yl}phenyl)-4-pyridin-3-yl-1,3-thiazol-2-yl]propan-2-ol | MERCK FROSST CANADA | 2009-01-27 | — | — | US | claimed |
| US-20060223850-A1 | 8-(3-Biaryl)phenylquinoline phosphodiesterase-4 inhibitors | MERCK FROSST CANADA & CO. (CA) | 2006-10-05 | — | — | US | claimed |
| US-7482456-B2 | antiasthmatic; antiinflammatory; minimal side effects; 8-(3-{2-(3-chlorophenyl)-4-[4-(methylsulfonyl)phenyl]-1,3-thiazol-5-yl}phenyl)-6-[1-methyl-1-(methylsulfonyl)ethyl]quinoline; 2-[5-(3-{6-[1-methyl-1-(methylsulfonyl)ethyl]quinolin-8-yl}phenyl)-4-pyridin-3-yl-1,3-thiazol-2-yl]propan-2-ol | MERCK FROSST CANADA | 2009-01-27 | — | — | US | disclosed |
| US-20060223850-A1 | 8-(3-Biaryl)phenylquinoline phosphodiesterase-4 inhibitors | MERCK FROSST CANADA & CO. (CA) | 2006-10-05 | — | — | US | disclosed |
| EP-1635829-A1 | 8-(3-BIARYL)PHENYLQUINOLINE PHOSPHODIESTERASE-4-INHIBITORS | Merck Frosst Canada Ltd. (CA) | 2006-03-22 | — | — | EP | disclosed |
| WO-2004096220-A1 | 8-(3-BIARYL)PHENYLQUINOLINE PHOSPHODIESTERASE-4-INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2004-11-11 | — | — | WO | disclosed |