⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8498752 | 1.00 | — | — | |
| SCHEMBL8500840 | 0.96 | — | — | |
| SCHEMBL8500839 | 0.96 | — | — | |
| SCHEMBL9690725 | 0.94 | — | — | |
| SCHEMBL9690720 | 0.94 | — | — | |
| SCHEMBL8499868 | 0.92 | MEN1 (0.59) | — | |
| SCHEMBL8499867 | 0.92 | MEN1 (0.59) | — | |
| SCHEMBL8499913 | 0.92 | MEN1 (0.59) | — | |
| SCHEMBL8499916 | 0.92 | MEN1 (0.59) | — | |
| SCHEMBL8498434 | 0.91 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5856322-A | ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, CARDIOVASCULAR DISORDERS | MERCK FROSST CANADA, INC. (CA) | 1999-01-05 | — | — | US | disclosed |
| EP-0480717-B1 | Unsaturated hydroxyalkylquinoline acids as leukotriene antagonists | MERCK FROSST CANADA INC (CA) | 1998-04-15 | — | — | EP | disclosed |
| US-5565473-A | USEFUL AS ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND CYTOPROTECTIVE AGENTS; MONTELUKAST AND ITS SODIUM SALT | MERCK FROSST CANADA, INC. (CA) | 1996-10-15 | — | — | US | disclosed |
| US-5270324-A | Fluorinated hydroxyalkylquinoline acids as leukotriene antagonists | MERCK FROSST CANADA, INC. (CA) | 1993-12-14 | — | — | US | disclosed |
| EP-0480717-A1 | Unsaturated hydroxyalkylquinoline acids as leukotriene antagonists | MERCK FROSST CANADA INC. (CA) | 1992-04-15 | — | — | EP | disclosed |