⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22908423 | 0.92 | BTK (0.31) | — | |
| SCHEMBL21285145 | 0.88 | BTK (0.30) | — | |
| SCHEMBL22908436 | 0.87 | CYP1A2 (0.39) | — | |
| SCHEMBL22908551 | 0.85 | GHSR (0.33) | — | |
| SCHEMBL21285034 | 0.83 | GRM5 (0.31) | — | |
| SCHEMBL24120402 | 0.82 | — | — | |
| SCHEMBL22908426 | 0.82 | JAK1 (0.37) | — | |
| SCHEMBL22908409 | 0.81 | CYP1A2 (0.34) | — | |
| SCHEMBL21285231 | 0.81 | BTK (0.30) | — | |
| SCHEMBL23344430 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021009048-A1 | HERBICIDAL CYCLOHEXANEDIONE DERIVATIVES | SYNGENTA CROP PROTECTION AG (CH) | 2021-01-21 | — | — | WO | disclosed |