⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8729517 | 1.00 | — | — | |
| SCHEMBL482877 | 0.76 | MAOB (0.30) | — | |
| SCHEMBL9199675 | 0.76 | MAOB (0.30) | — | |
| SCHEMBL482794 | 0.76 | MAOB (0.30) | — | |
| SCHEMBL7559119 | 0.67 | TAAR1 (0.41) | — | |
| SCHEMBL8465950 | 0.67 | — | — | |
| SCHEMBL9222448 | 0.67 | CYP2A6 (0.42) | — | |
| SCHEMBL9419298 | 0.66 | TAAR1 (0.42) | — | |
| SCHEMBL177278 | 0.66 | GABRA1 (0.38) | — | |
| SCHEMBL5431853 | 0.65 | GABRA1 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0609058-B1 | Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses | SANKYO CO (JP) | 1998-12-09 | — | — | EP | disclosed |
| US-5491167-A | INHIBITORS OF CHOLESTEROL BIOSYNTHESIS | SANKYO COMPANY, LIMITED (JP) | 1996-02-13 | — | — | US | disclosed |
| EP-0609058-A2 | Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses | SANKYO COMPANY LIMITED (JP) | 1994-08-03 | — | — | EP | disclosed |