⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11903154 | 0.85 | ACLY (0.34) | — | |
| SCHEMBL11918137 | 0.78 | CYP1A2 (0.43) | — | |
| SCHEMBL11917992 | 0.76 | DPP4 (0.33) | — | |
| SCHEMBL11918055 | 0.74 | MAPT (0.36) | — | |
| SCHEMBL11918005 | 0.72 | CYP1A2 (0.43) | — | |
| SCHEMBL13256089 | 0.70 | DHPS (0.36) | — | |
| SCHEMBL11918081 | 0.70 | PDE10A (0.34) | — | |
| SCHEMBL11902763 | 0.70 | ACLY (0.34) | — | |
| SCHEMBL21584443 | 0.69 | MEP1B (0.36) | — | |
| SCHEMBL11918129 | 0.69 | CYP1A2 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120202690-A1 | HERBICIDAL COMPOUNDS | SYNGENTA LIMITED (US) | 2012-08-09 | — | — | US | disclosed |