⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28920099 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL2227297 | 0.73 | METAP1 (0.52) | — | |
| SCHEMBL990710 | 0.71 | MAPT (0.48) | — | |
| SCHEMBL27996263 | 0.70 | XDH (0.33) | — | |
| SCHEMBL938 | 0.70 | — | — | |
| SCHEMBL5578315 | 0.70 | — | — | |
| SCHEMBL1602461 | 0.70 | ALDH1A1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL27975795 | 0.69 | — | — | |
| Charcoal, Activated SCHEMBL30986727 | 0.69 | — | — | |
| SCHEMBL1066878 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070105900-A1 | Pharmaceutical compounds | ATEX THERAPEUTICS, LIMITED (GB) | 2007-05-10 | — | — | US | disclosed |
| EP-1648449-A2 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS | Astex Therapeutics Limited (GB) | 2006-04-26 | — | — | EP | disclosed |
| WO-2005002576-A2 | IMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS | ASTEX THERAPEUTICS LIMITED (GB) | 2005-01-13 | — | — | WO | disclosed |