⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9224290 | 1.00 | — | — | |
| SCHEMBL9227447 | 0.90 | — | — | |
| SCHEMBL9227450 | 0.90 | — | — | |
| SCHEMBL9208043 | 0.83 | — | — | |
| SCHEMBL8497291 | 0.83 | MEN1 (0.60) | — | |
| SCHEMBL8497289 | 0.83 | MEN1 (0.60) | — | |
| SCHEMBL9200778 | 0.83 | — | — | |
| SCHEMBL10590029 | 0.82 | — | — | |
| SCHEMBL9689591 | 0.81 | CYSLTR2 (0.56) | — | |
| SCHEMBL8500140 | 0.79 | MEN1 (0.60) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5428033-A | Useful as anti-asthmatic, anti-allergic, anti-inflammatory and cytoprotecyive agents | MERCK FROSST CANADA, INC. (CA) | 1995-06-27 | — | — | US | disclosed |
| EP-0480716-A1 | Saturated hydroxyalkylquinoline acids as leukotriene antagonists | MERCK FROSST CANADA INC. (CA) | 1992-04-15 | — | — | EP | disclosed |