⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23506336 | 0.93 | CTSL (0.40) | — | |
| SCHEMBL23506245 | 0.89 | — | — | |
| SCHEMBL21702165 | 0.88 | CTSL (0.38) | — | |
| SCHEMBL23506388 | 0.85 | CTSL (0.40) | — | |
| SCHEMBL19606056 | 0.82 | CTSB (0.39) | — | |
| SCHEMBL23506522 | 0.82 | — | — | |
| SCHEMBL23506310 | 0.82 | — | — | |
| SCHEMBL23506441 | 0.81 | CTSL (0.48) | — | |
| SCHEMBL21702235 | 0.81 | CTSL (0.42) | — | |
| SCHEMBL23506556 | 0.79 | — | — |
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-3835296-A1 | KETOAMIDE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2021-06-16 | — | — | EP | disclosed |