⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4188170 | 0.82 | TUBB4A (0.30) | — | |
| SCHEMBL4168453 | 0.77 | AURKA (0.36) | — | |
| SCHEMBL4170614 | 0.75 | KDR (0.43) | — | |
| SCHEMBL4169707 | 0.74 | TUBB4A (0.39) | — | |
| SCHEMBL4181723 | 0.73 | CYP1A2 (0.42) | — | |
| SCHEMBL4180846 | 0.72 | TUBB4A (0.43) | — | |
| SCHEMBL4181133 | 0.72 | TUBB4A (0.44) | — | |
| SCHEMBL4174903 | 0.72 | — | — | |
| SCHEMBL4173263 | 0.72 | KDR (0.40) | — | |
| SCHEMBL4181336 | 0.72 | TUBB4A (0.40) | — |
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-20090318438-A1 | Heterocyclic compounds and their use as anticancer agents | CHEN XIAOLING | 2009-12-24 | — | — | US | disclosed |
| US-20090048301-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS | IMCLONE SYSTEMS INCORPORATED (US) | 2009-02-19 | — | — | US | disclosed |
| WO-2005004818-A2 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS | IMCLONE SYSTEMS INCORPORATED (US) | 2005-01-20 | — | — | WO | disclosed |