⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11601366 | 0.86 | — | — | |
| SCHEMBL28926854 | 0.83 | — | — | |
| SCHEMBL4907605 | 0.74 | — | — | |
| SCHEMBL5310438 | 0.73 | — | — | |
| SCHEMBL5312560 | 0.70 | — | — | |
| SCHEMBL5314558 | 0.68 | — | — | |
| SCHEMBL6118142 | 0.67 | TAAR1 (0.32) | — | |
| SCHEMBL3463247 | 0.66 | — | — | |
| SCHEMBL3826416 | 0.61 | — | — | |
| SCHEMBL7514573 | 0.61 | — | — |
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 |