⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8520065 | 1.00 | — | — | |
| SCHEMBL807407 | 1.00 | — | — | |
| Trifluoroacetic Acid SCHEMBL5319837 | 0.85 | CA1 (0.40) | — | |
| SCHEMBL15726596 | 0.84 | CA1 (0.38) | — | |
| SCHEMBL4430069 | 0.84 | CA1 (0.45) | — | |
| SCHEMBL12951611 | 0.82 | ALDH1A1 (0.43) | — | |
| SCHEMBL807405 | 0.82 | ALDH1A1 (0.43) | — | |
| SCHEMBL6385908 | 0.81 | CA1 (0.39) | — | |
| SCHEMBL882111 | 0.80 | — | — | |
| SCHEMBL12072072 | 0.80 | CA1 (0.42) | — |
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-20230150989-A1 | HERBICIDAL MALONAMIDES | BASF SE (DE) | 2023-05-18 | — | — | US | disclosed |