⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6800909 | 0.79 | MAPT (0.32) | — | |
| SCHEMBL6747788 | 0.64 | THRB (0.33) | — | |
| SCHEMBL14041238 | 0.63 | — | — | |
| SCHEMBL4446005 | 0.56 | THRB (0.41) | — | |
| SCHEMBL2217512 | 0.56 | THRB (0.41) | — | |
| SCHEMBL10706401 | 0.56 | — | — | |
| SCHEMBL17645609 | 0.54 | — | — | |
| SCHEMBL9247598 | 0.53 | CA1 (0.45) | — | |
| SCHEMBL28213893 | 0.52 | — | — | |
| SCHEMBL20340546 | 0.51 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1978020-A1 | Processes for the preparation of statins, particularly rosuvastatin, and intermediates for the preparation thereof | LEK Pharmaceuticals D.D. (SI) | 2008-10-08 | — | — | EP | disclosed |