⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28672991 | 0.76 | — | — | |
| SCHEMBL20874416 | 0.76 | CA1 (0.39) | — | |
| SCHEMBL4125859 | 0.69 | USP2 (0.35) | — | |
| SCHEMBL4139926 | 0.69 | USP2 (0.35) | — | |
| SCHEMBL1500598 | 0.68 | — | — | |
| SCHEMBL18151471 | 0.67 | CA1 (0.33) | — | |
| Methanesulfonic Acid Methyl Ester SCHEMBL28826005 | 0.67 | TSHR (0.48) | — | |
| SCHEMBL23631856 | 0.66 | USP2 (0.37) | — | |
| SCHEMBL3484958 | 0.66 | — | — | |
| SCHEMBL809766 | 0.66 | — | — |
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-2318358-A2 | ACYLAMINOBENZAMIDE DERIVATIVES | Bayer CropScience AG (DE) | 2011-05-11 | — | — | EP | disclosed |
| WO-2010015355-A2 | NOVEL ACYLAMINOBENZAMIDE DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2010-02-11 | — | — | WO | disclosed |