⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7719093 | 0.97 | FDPS (0.31) | — | |
| SCHEMBL7713670 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL7720694 | 0.77 | SLC6A2 (0.38) | — | |
| SCHEMBL3307691 | 0.71 | SLC6A4 (0.40) | — | |
| SCHEMBL5910756 | 0.70 | SLC6A3 (0.30) | — | |
| SCHEMBL7717160 | 0.69 | — | — | |
| SCHEMBL288088 | 0.69 | FDPS (0.33) | — | |
| SCHEMBL12715170 | 0.69 | — | — | |
| SCHEMBL12717142 | 0.69 | — | — | |
| SCHEMBL19334589 | 0.69 | SLC6A4 (0.39) | — |
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 |