⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10704801 | 0.77 | SIRT2 (0.33) | — | |
| SCHEMBL28157619 | 0.77 | PRKCA (0.32) | — | |
| SCHEMBL3340035 | 0.70 | SIRT2 (0.32) | — | |
| SCHEMBL11313323 | 0.67 | SIRT2 (0.41) | — | |
| SCHEMBL9502074 | 0.66 | — | — | |
| SCHEMBL11765696 | 0.66 | CYP2C9 (0.32) | — | |
| SCHEMBL28491010 | 0.65 | LMNA (0.34) | — | |
| SCHEMBL7488740 | 0.64 | OPRM1 (0.40) | — | |
| SCHEMBL10597837 | 0.63 | — | — | |
| SCHEMBL12637696 | 0.63 | LMNA (0.32) | — |
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-1056737-A1 | PROCESS FOR THE PREPARATION OF SIMVASTATIN AND DERIVATIVES THEREOF | KRKA, Tovarna, Zdravil, D.D. (SI) | 2000-12-06 | — | — | EP | disclosed |
| WO-1999043665-A1 | PROCESS FOR THE PREPARATION OF SIMVASTATIN AND DERIVATIVES THEREOF | KRKA, TOVARNA, ZDRAVIL, D.D. (SI) | 1999-09-02 | — | — | WO | disclosed |
| EP-0306210-B1 | A NOVEL HYDROGENATION PROCESS FOR THE FORMATION OF DI OR TETRAHYDRO HMG-COA REDUCTASE INHIBITORS | MERCK & CO. INC. (US) | 1993-09-29 | — | — | EP | disclosed |
| EP-0327166-B1 | NOVEL HMG-COA REDUCTASE INHIBITORS | Merck & Co., Inc. (US) | 1992-12-30 | — | — | EP | disclosed |
| EP-0323867-B1 | NOVEL HMG-COA REDUCTASE INHIBITORS | MERCK & CO. INC. (US) | 1992-04-01 | — | — | EP | disclosed |