⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3317564 | 1.00 | — | — | |
| SCHEMBL3319750 | 1.00 | — | — | |
| SCHEMBL4429470 | 0.77 | — | — | |
| SCHEMBL3321280 | 0.76 | — | — | |
| SCHEMBL3312966 | 0.76 | — | — | |
| SCHEMBL4532757 | 0.71 | — | — | |
| SCHEMBL24151032 | 0.70 | — | — | |
| SCHEMBL18270873 | 0.70 | — | — | |
| SCHEMBL18270953 | 0.70 | — | — | |
| SCHEMBL7460999 | 0.69 | ALDH1A1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-100549006-C | The mitotic kinesins inhibitor | MERCK & CO INC (US) | 2009-10-14 | — | — | CN | disclosed |
| CN-1839128-A | Mitotic kinesin inhibitors | MERCK & CO INC (US) | 2006-09-27 | — | — | CN | disclosed |