⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1262907 | 0.86 | SLC6A2 (0.38) | — | |
| SCHEMBL3301449 | 0.77 | KDM4E (0.31) | — | |
| SCHEMBL14700537 | 0.76 | — | — | |
| SCHEMBL21056060 | 0.75 | — | — | |
| SCHEMBL2010031 | 0.74 | — | — | |
| SCHEMBL13076983 | 0.74 | — | — | |
| SCHEMBL7717160 | 0.74 | — | — | |
| Iodide SCHEMBL27681363 | 0.74 | KDM4E (0.31) | — | |
| SCHEMBL7718079 | 0.74 | SLC6A2 (0.30) | — | |
| SCHEMBL19920792 | 0.71 | SLC6A2 (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-2002087587-A2 | 4-AMINOSULFONYLQUINAZOLINES AND -QUINOLINES AS TYROSINE KINASE INHIBITORS | CELLTECH R & D LIMITED (GB) | 2002-11-07 | — | — | WO | disclosed |