⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9577385 | 0.72 | — | — | |
| SCHEMBL2307861 | 0.72 | CYP1A2 (0.44) | — | |
| SCHEMBL22652612 | 0.69 | — | — | |
| SCHEMBL28059425 | 0.69 | — | — | |
| SCHEMBL1482550 | 0.67 | — | — | |
| SCHEMBL8074359 | 0.67 | — | — | |
| SCHEMBL22649404 | 0.67 | — | — | |
| SCHEMBL4346880 | 0.67 | — | — | |
| SCHEMBL28106228 | 0.67 | — | — | |
| SCHEMBL8083331 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102627638-A | Thiadiazole substituted coumarin derivatives and their use as leukotriene biosynthesis inhibitor | MERCK FROSST CANADA LTD | 2012-08-08 | — | — | CN | disclosed |
| CN-101146802-A | Thiadiazole-substituted coumarin derivatives and their use as leukotriene biosynthesis inhibitors | MERCK FROSST CANADA LTD (CA) | 2008-03-19 | — | — | CN | disclosed |