⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12004410 | 0.68 | — | — | |
| Trifluoroacetic Acid SCHEMBL20527475 | 0.67 | FFAR3 (0.62) | — | |
| Trifluoroacetic Acid SCHEMBL4485807 | 0.67 | FFAR3 (0.62) | — | |
| SCHEMBL18421749 | 0.67 | — | — | |
| SCHEMBL21929747 | 0.67 | — | — | |
| SCHEMBL8570714 | 0.67 | FAAH (0.32) | — | |
| SCHEMBL13729203 | 0.67 | — | — | |
| SCHEMBL7026451 | 0.67 | — | — | |
| Trifluoroacetic Acid SCHEMBL29603858 | 0.65 | ALDH1A1 (0.59) | — | |
| Trifluoroacetic Acid SCHEMBL27943966 | 0.65 | FFAR3 (0.42) | — |
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-6376548-B1 | FUNGICIDES; HERBICIDES; INSECTICIDES | ROHM AND HAAS COMPANY | 2002-04-23 | — | — | US | claimed |
| US-20090054483-A1 | Substituted Quinolines as Inhibitors of Leukotriene Biosynthesis | MERCK FROSST CANADA LTD. (CA) | 2009-02-26 | — | — | US | disclosed |
| WO-2008095292-A1 | [1,2,3] TRIAZOLYL SUBSTITUTED QUINOLINES AND COUMARINS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | MERCK FROSST CANADA LTD. (CA) | 2008-08-14 | — | — | WO | disclosed |
| EP-1934205-A1 | SUBSTITUTED QUINOLINES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | Merck Frosst Canada Ltd. (CA) | 2008-06-25 | — | — | EP | disclosed |
| WO-2007038865-A1 | SUBSTITUTED QUINOLINES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | MERCK FROSST CANADA LTD. (CA) | 2007-04-12 | — | — | WO | disclosed |
| US-6376548-B1 | FUNGICIDES; HERBICIDES; INSECTICIDES | ROHM AND HAAS COMPANY | 2002-04-23 | — | — | US | disclosed |