⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3270013 | 0.82 | ALDH1A1 (0.52) | — | |
| SCHEMBL40578 | 0.82 | — | — | |
| SCHEMBL64593 | 0.81 | ALDH1A1 (0.68) | — | |
| SCHEMBL4979279 | 0.80 | — | — | |
| SCHEMBL468689 | 0.80 | — | — | |
| SCHEMBL14718902 | 0.80 | ALDH1A1 (0.50) | — | |
| SCHEMBL5727777 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL1373161 | 0.78 | ALDH1A1 (0.48) | — | |
| SCHEMBL16174472 | 0.78 | ALDH1A1 (0.48) | — | |
| SCHEMBL20490065 | 0.78 | ALDH1A1 (0.48) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5604256-A | (7-(5-(1,3-DIOXANE-5YL)METHOXYIMINO-2-METHYL-8-(2-METHYLBUTYR -OXY)3-OXO-1,2,3,5,6,7,8,8A-OCTAHYDRO-1-NAPHTHYL)-3-HYDROXY-5 -OXOHEPTANOIC ACID AND SALTS | SANKYO COMPANY, LIMITED (JP) | 1997-02-18 | — | — | US | disclosed |
| EP-0570245-B1 | Octahydronaphthalene oxime derivatives for cholesterol biosynthesis inhibition, their preparation and use | SANKYO CO (JP) | 1996-10-30 | — | — | EP | disclosed |
| EP-0570245-A2 | Octahydronaphthalene oxime derivatives for cholesterol biosynthesis inhibition, their preparation and use | SANKYO COMPANY LIMITED (JP) | 1993-11-18 | — | — | EP | disclosed |