⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3030816 | 0.94 | TBXAS1 (0.56) | — | |
| SCHEMBL3362075 | 0.86 | — | — | |
| SCHEMBL9777191 | 0.86 | TBXAS1 (0.60) | — | |
| SCHEMBL3431746 | 0.86 | TBXAS1 (0.66) | — | |
| SCHEMBL28062565 | 0.84 | TBXAS1 (0.69) | — | |
| SCHEMBL503743 | 0.84 | TBXAS1 (0.69) | — | |
| SCHEMBL285224 | 0.81 | TERT (0.59) | — | |
| SCHEMBL9454 | 0.80 | — | — | |
| SCHEMBL1052115 | 0.78 | — | — | |
| SCHEMBL9846593 | 0.78 | TBXAS1 (0.58) | — |
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 |