⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8497517 | 0.93 | CYP2C8 (0.60) | — | |
| SCHEMBL8500756 | 0.92 | — | — | |
| SCHEMBL8499358 | 0.92 | — | — | |
| SCHEMBL8497608 | 0.91 | — | — | |
| SCHEMBL8499740 | 0.91 | — | — | |
| SCHEMBL8761822 | 0.89 | — | — | |
| SCHEMBL8761817 | 0.89 | — | — | |
| SCHEMBL8497845 | 0.89 | CYSLTR1 (0.62) | — | |
| SCHEMBL9690891 | 0.88 | MEN1 (0.75) | — | |
| SCHEMBL9691021 | 0.88 | MEN1 (0.75) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0480717-A1 | Unsaturated hydroxyalkylquinoline acids as leukotriene antagonists | MERCK FROSST CANADA INC. (CA) | 1992-04-15 | — | — | EP | disclosed |