⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL779882 | 0.72 | — | — | |
| SCHEMBL647352 | 0.71 | — | — | |
| SCHEMBL647354 | 0.71 | — | — | |
| SCHEMBL25289015 | 0.71 | — | — | |
| SCHEMBL27694352 | 0.67 | — | — | |
| SCHEMBL21927060 | 0.65 | TSHR (0.32) | — | |
| SCHEMBL22518725 | 0.64 | — | — | |
| SCHEMBL4131688 | 0.63 | — | — | |
| SCHEMBL779887 | 0.63 | CYP3A4 (0.31) | — | |
| SCHEMBL11029496 | 0.62 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1862444-A2 | Ether compounds, compositions, and uses thereof | Esperion Therapeutics, Inc. (US) | 2007-12-05 | — | — | EP | disclosed |
| WO-2001051126-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 2001-07-19 | — | — | WO | disclosed |