⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10499464 | 0.79 | CA1 (0.34) | — | |
| SCHEMBL576639 | 0.78 | — | — | |
| SCHEMBL3099453 | 0.78 | — | — | |
| SCHEMBL6718451 | 0.76 | — | — | |
| SCHEMBL6718453 | 0.76 | — | — | |
| SCHEMBL8018180 | 0.75 | — | — | |
| SCHEMBL16311364 | 0.74 | — | — | |
| SCHEMBL319578 | 0.73 | — | — | |
| SCHEMBL10322172 | 0.73 | — | — | |
| SCHEMBL11244776 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1871379-A2 | CYANOARYLAMINES | Smithkline Beecham Corporation (US) | 2008-01-02 | — | — | EP | disclosed |
| WO-2006113552-A2 | CYANOARYLAMINES | SMITHKLINE BEECHAM CORPORATION (US) | 2006-10-26 | — | — | WO | disclosed |