⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8726013 | 1.00 | — | — | |
| SCHEMBL8900857 | 0.78 | PARP1 (0.43) | — | |
| SCHEMBL7303976 | 0.73 | PARP1 (0.31) | — | |
| SCHEMBL27773223 | 0.73 | CYP1A2 (0.59) | — | |
| SCHEMBL7048025 | 0.72 | — | — | |
| SCHEMBL5254656 | 0.68 | GABRA1 (0.35) | — | |
| SCHEMBL603488 | 0.68 | HPRT1 (0.64) | — | |
| SCHEMBL2548078 | 0.68 | HPRT1 (0.64) | — | |
| SCHEMBL4162325 | 0.66 | — | — | |
| SCHEMBL15415004 | 0.65 | HPRT1 (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 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 |