⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL460768 | 0.72 | GAA (0.44) | — | |
| SCHEMBL11720850 | 0.69 | CA12 (0.38) | — | |
| SCHEMBL31095199 | 0.69 | GAA (0.44) | — | |
| SCHEMBL89122 | 0.67 | CA1 (0.41) | — | |
| SCHEMBL18857494 | 0.66 | KDM4C (0.37) | — | |
| SCHEMBL19152943 | 0.64 | PDE3B (0.31) | — | |
| SCHEMBL1939592 | 0.63 | GAA (0.32) | — | |
| SCHEMBL29787065 | 0.63 | GAA (0.32) | — | |
| SCHEMBL445873 | 0.63 | GAA (0.32) | — | |
| SCHEMBL88782 | 0.63 | CA9 (0.41) | — |
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-2002076463-A1 | COMPOUNDS USEFUL AS KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES | SMITHKLINE BEECHAM CORPORATION (US) | 2002-10-03 | — | — | WO | claimed |