⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4433490 | 1.00 | — | — | |
| SCHEMBL7837454 | 0.73 | KDM4E (0.33) | — | |
| SCHEMBL15068507 | 0.69 | — | — | |
| SCHEMBL4436859 | 0.69 | NR1I2 (0.33) | — | |
| SCHEMBL23231751 | 0.64 | MAP4K4 (0.44) | — | |
| SCHEMBL13637352 | 0.64 | ALDH1A1 (0.65) | — | |
| SCHEMBL10579609 | 0.63 | HSD11B1 (0.37) | — | |
| SCHEMBL382010 | 0.61 | GABRA1 (0.50) | — | |
| SCHEMBL5101318 | 0.61 | GABRA1 (0.50) | — | |
| SCHEMBL5101317 | 0.61 | GABRA1 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7618981-B2 | to treat cellular proliferative diseases, hyperplasias, solid tumor, cardiac hypertrophy, immune disorders and inflammation; modulators of one or more mitotic kinesins; N-(2-(2-dimethylamino-acetylamino)-1-{4-[8-(1-hydroxy-ethyl)-imidazo[1,2-a]pyridin-2-yl]-benzyl}-ethyl)-3-chloro-4-isopropoxy-benzamide | CYTOKINETICS, INC. (US) | 2009-11-17 | — | — | US | claimed |