⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22654071 | 0.95 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL29658208 | 0.95 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL29457680 | 0.92 | MEN1 (0.33) | — | |
| SCHEMBL22031793 | 0.92 | MEN1 (0.33) | — | |
| SCHEMBL22031795 | 0.81 | P2RX7 (0.33) | — | |
| (Z)-1,2-Diphenylethene SCHEMBL29582372 | 0.79 | TP53 (0.33) | — | |
| SCHEMBL22654072 | 0.79 | MEN1 (0.30) | — | |
| SCHEMBL29658200 | 0.78 | P4HB (0.31) | — | |
| SCHEMBL27200156 | 0.78 | P4HB (0.31) | — | |
| SCHEMBL22654069 | 0.77 | FPR2 (0.31) | — |
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-3737667-A1 | HERBICIDAL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2020-11-18 | — | — | EP | disclosed |