⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28080992 | 0.76 | TSHR (0.31) | — | |
| SCHEMBL1843259 | 0.72 | KIF11 (0.40) | — | |
| SCHEMBL1817977 | 0.71 | POLB (0.30) | — | |
| SCHEMBL31489659 | 0.70 | CYP26A1 (0.36) | — | |
| SCHEMBL15401680 | 0.69 | POLB (0.30) | — | |
| SCHEMBL15401529 | 0.69 | — | — | |
| SCHEMBL15402501 | 0.66 | TSHR (0.33) | — | |
| SCHEMBL2362852 | 0.65 | — | — | |
| SCHEMBL22345324 | 0.64 | MEN1 (0.30) | — | |
| SCHEMBL2652895 | 0.64 | TSHR (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 |
|---|---|---|---|---|---|---|---|
| WO-2010015355-A2 | NOVEL ACYLAMINOBENZAMIDE DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2010-02-11 | — | — | WO | disclosed |