⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7807478 | 0.74 | — | — | |
| SCHEMBL2285604 | 0.70 | — | — | |
| SCHEMBL10491252 | 0.67 | — | — | |
| SCHEMBL1191726 | 0.67 | — | — | |
| SCHEMBL14681229 | 0.67 | — | — | |
| SCHEMBL3408770 | 0.67 | — | — | |
| 1,1-Dichloroethene SCHEMBL20771035 | 0.63 | — | — | |
| 1,1,2,2-Tetrachloroethane SCHEMBL9340540 | 0.60 | TDP1 (0.50) | — | |
| Chloroform SCHEMBL28585908 | 0.60 | — | — | |
| SCHEMBL6040446 | 0.57 | — | — |
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 |