⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4521898 | 0.97 | CA1 (0.37) | — | |
| SCHEMBL8972605 | 0.78 | — | — | |
| SCHEMBL9141276 | 0.75 | CA1 (0.36) | — | |
| SCHEMBL6870260 | 0.72 | — | — | |
| SCHEMBL21149352 | 0.72 | CA1 (0.43) | — | |
| SCHEMBL44180 | 0.71 | TSHR (0.36) | — | |
| Hydrochloric Acid SCHEMBL4532985 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL120845 | 0.69 | TSHR (0.35) | — | |
| Hydrochloric Acid SCHEMBL432534 | 0.69 | TSHR (0.35) | — | |
| SCHEMBL3294214 | 0.69 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0420116-B1 | Novel substituted alkyl piperidines and their use as inhibitors of cholesterol synthesis | MERRELL PHARMA INC (US) | 1997-07-30 | — | — | EP | disclosed |
| EP-0468457-B1 | Novel substituted piperidines and their use as inhibitors of cholesterol synthesis | MERRELL DOW PHARMA (US) | 1996-03-06 | — | — | EP | disclosed |
| US-5217979-A | Substituted alkyl piperidines | MERRELL DOW PHARMACEUTICALS INC. (US) | 1993-06-08 | — | — | US | disclosed |
| EP-0468457-A1 | Novel substituted piperidines and their use as inhibitors of cholesterol synthesis | MERRELL PHARMACEUTICALS INC. (US) | 1992-01-29 | — | — | EP | disclosed |
| EP-0420116-A2 | Novel substituted alkyl piperidines and their use as inhibitors of cholesterol synthesis | MERRELL PHARMACEUTICALS INC. (US) | 1991-04-03 | — | — | EP | disclosed |