⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3637792 | 0.78 | STAT3 (0.31) | — | |
| SCHEMBL7913695 | 0.71 | — | — | |
| SCHEMBL1662210 | 0.71 | OXER1 (0.30) | — | |
| SCHEMBL9410525 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL9838704 | 0.66 | — | — | |
| SCHEMBL9838707 | 0.66 | — | — | |
| SCHEMBL20809361 | 0.66 | — | — | |
| SCHEMBL6647762 | 0.65 | — | — | |
| SCHEMBL24384622 | 0.65 | ALDH1A1 (0.40) | — | |
| SCHEMBL6988837 | 0.62 | CES1 (0.33) | — |
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-0973936-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS | ELI LILLY AND COMPANY (US) | 2000-01-26 | — | — | EP | disclosed |
| WO-1998046786-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS | ELI LILLY AND COMPANY (US) | 1998-10-22 | — | — | WO | disclosed |