⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8111295 | 0.79 | ALDH1A1 (0.43) | — | |
| SCHEMBL6951787 | 0.75 | — | — | |
| SCHEMBL6958522 | 0.75 | — | — | |
| SCHEMBL6964047 | 0.75 | — | — | |
| SCHEMBL6961349 | 0.75 | — | — | |
| SCHEMBL6958094 | 0.74 | — | — | |
| SCHEMBL8116509 | 0.74 | ALDH1A1 (0.41) | — | |
| SCHEMBL6959352 | 0.72 | FDFT1 (0.43) | — | |
| SCHEMBL6959356 | 0.72 | FDFT1 (0.51) | — | |
| SCHEMBL8110961 | 0.69 | FDFT1 (0.43) | — |
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-0645378-B1 | Condensed seven- or eight-membered heterocyclic compounds useful as squalene synthetase inhibitors | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2000-08-23 | — | — | EP | disclosed |
| US-5698691-A | ANTICHOLESTEROL AGENT; SYNTHETASE INHIBITOR; FUNGICIDE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-12-16 | — | — | US | disclosed |
| EP-0645378-A1 | Condensed seven- or eight-membered heterocyclic compounds useful as squalene synthetase inhibitors | Takeda Chemical Industries, Ltd. (JP) | 1995-03-29 | — | — | EP | disclosed |