⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14648366 | 0.72 | — | — | |
| SCHEMBL18867154 | 0.71 | — | — | |
| SCHEMBL24054565 | 0.69 | — | — | |
| SCHEMBL22062337 | 0.69 | — | — | |
| SCHEMBL21610404 | 0.67 | MAPT (0.46) | — | |
| SCHEMBL17341934 | 0.65 | GAA (0.30) | — | |
| SCHEMBL22795970 | 0.64 | RIPK1 (0.31) | — | |
| SCHEMBL18634492 | 0.63 | — | — | |
| SCHEMBL10037199 | 0.63 | — | — | |
| SCHEMBL20454480 | 0.59 | — | — |
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-3651762-B1 | ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 | UNIV VANDERBILT (US) | 2024-07-03 | — | — | EP | disclosed |
| WO-2020002083-A1 | SUBSTITUTED HETEROCYCLIC PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 2020-01-02 | — | — | WO | disclosed |