⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL43209 | 0.63 | — | — | |
| SCHEMBL2962048 | 0.62 | — | — | |
| SCHEMBL607379 | 0.58 | — | — | |
| SCHEMBL581266 | 0.54 | — | — | |
| Acetaldehyde SCHEMBL10997535 | 0.54 | — | — | |
| SCHEMBL581267 | 0.54 | — | — | |
| Hydrochloric Acid SCHEMBL6469804 | 0.54 | — | — | |
| Propene SCHEMBL11497881 | 0.54 | — | — | |
| Propene SCHEMBL3221397 | 0.54 | — | — | |
| SCHEMBL406 | 0.53 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080194536-A1 | Cyanoarylamines | SMITHKLINE BEECHAM CORPORATION | 2008-08-14 | — | — | US | claimed |
| EP-1871379-A2 | CYANOARYLAMINES | Smithkline Beecham Corporation (US) | 2008-01-02 | — | — | EP | claimed |
| WO-2006113552-A2 | CYANOARYLAMINES | SMITHKLINE BEECHAM CORPORATION (US) | 2006-10-26 | — | — | WO | claimed |
| EP-1106619-A2 | Threading intercalator having oxidation-reduction activity | FUJI PHOTO FILM CO., LTD. (JP) | 2001-06-13 | — | — | EP | disclosed |