⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8967209 | 0.82 | NCF1 (0.38) | — | |
| SCHEMBL30981065 | 0.82 | HTT (0.30) | — | |
| SCHEMBL1842886 | 0.80 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL14376621 | 0.80 | HRH3 (0.33) | — | |
| SCHEMBL140296 | 0.80 | — | — | |
| SCHEMBL8056802 | 0.80 | — | — | |
| SCHEMBL16712669 | 0.80 | — | — | |
| SCHEMBL290055 | 0.75 | — | — | |
| SCHEMBL20627575 | 0.75 | — | — | |
| SCHEMBL6092895 | 0.75 | — | — |
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-0468434-B1 | Novel piperidyl ethers and thioethers as inhibitors of cholesterol biosynthesis | MERRELL DOW PHARMA (US) | 1996-02-28 | — | — | EP | disclosed |
| US-5348964-A | Anticholesterol agents or fungicides | MERRELL DOW PHARMACEUTICALS INC. (US) | 1994-09-20 | — | — | US | disclosed |
| EP-0468434-A1 | Novel piperidyl ethers and thioethers as inhibitors of cholesterol biosynthesis | MERRELL PHARMACEUTICALS INC. (US) | 1992-01-29 | — | — | EP | disclosed |