⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10401485 | 0.85 | — | — | |
| SCHEMBL10401465 | 0.75 | CA12 (0.36) | — | |
| SCHEMBL10401577 | 0.74 | MAPT (0.36) | — | |
| SCHEMBL10405477 | 0.69 | MEN1 (0.36) | — | |
| SCHEMBL10405675 | 0.66 | MEN1 (0.37) | — | |
| SCHEMBL10405674 | 0.66 | MEN1 (0.37) | — | |
| SCHEMBL10401481 | 0.66 | MAPT (0.37) | — | |
| SCHEMBL10405373 | 0.64 | MTNR1A (0.37) | — | |
| SCHEMBL9868005 | 0.62 | MAPT (0.39) | — | |
| SCHEMBL9868008 | 0.62 | MAPT (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4978679-A | 6- and/or 7-substituted-1,2,3,4,4A,9B-hexahydro-8-hydroxydibenzofuran-3-ols as inhibitors of leukotriene biosynthesis | MERCK & CO., INC. (US) | 1990-12-18 | — | — | US | disclosed |