⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL57127 | 0.83 | ALDH1A1 (0.35) | — | |
| Ethylene Glycol SCHEMBL6129571 | 0.77 | ALDH1A1 (0.31) | — | |
| Cyclooctene SCHEMBL1299539 | 0.76 | — | — | |
| SCHEMBL3622179 | 0.69 | ALDH1A1 (0.45) | — | |
| SCHEMBL23042847 | 0.68 | — | — | |
| Benzamide SCHEMBL1205193 | 0.66 | L3MBTL1 (0.50) | — | |
| SCHEMBL43574 | 0.65 | EGLN1 (0.43) | — | |
| Bicarbonate SCHEMBL28089564 | 0.65 | CA1 (0.36) | — | |
| Bicarbonate SCHEMBL28089562 | 0.65 | CA1 (0.36) | — | |
| Propionic Acid SCHEMBL38658951 | 0.64 | FFAR3 (0.53) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0744948-A4 | PROTEASE INHIBITORS | LILLY CO ELI (US) | 1997-06-11 | — | — | EP | disclosed |
| EP-0744948-A1 | PROTEASE INHIBITORS | ELI LILLY AND COMPANY (US) | 1996-12-04 | — | — | EP | disclosed |
| WO-1995020962-A1 | PROTEASE INHIBITORS | ELI LILLY AND COMPANY (US) | 1995-08-10 | — | — | WO | disclosed |