⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9490916 | 1.00 | — | — | |
| SCHEMBL9493665 | 0.90 | — | — | |
| SCHEMBL5499193 | 0.89 | HMGCR (0.39) | — | |
| SCHEMBL5499192 | 0.89 | HMGCR (0.39) | — | |
| SCHEMBL10361224 | 0.83 | — | — | |
| SCHEMBL10361225 | 0.83 | — | — | |
| SCHEMBL8160496 | 0.83 | — | — | |
| SCHEMBL8160494 | 0.83 | — | — | |
| SCHEMBL10830665 | 0.83 | HMGCR (0.35) | — | |
| SCHEMBL10830664 | 0.83 | HMGCR (0.35) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0259087-B1 | PRODRUGS OF ANTIHYPERCHOLESTEROLEMIC COMPOUNDS | MERCK & CO. INC. (US) | 1993-04-07 | — | — | EP | disclosed |
| US-4943588-A | ENZYME INHIBITORS | MERCK & CO., INC. (US) | 1990-07-24 | — | — | US | disclosed |
| US-4837205-A | 1,3-DIOXANE DERIVATIVES | MERCK & CO., INC. (US) | 1989-06-06 | — | — | US | disclosed |
| EP-0259087-A2 | Prodrugs of antihypercholesterolemic compounds | MERCK & CO. INC. (US) | 1988-03-09 | — | — | EP | disclosed |