⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4180787 | 0.79 | KDR (0.38) | — | |
| SCHEMBL4170856 | 0.78 | — | — | |
| SCHEMBL4174337 | 0.77 | VCP (0.30) | — | |
| Hydrochloric Acid SCHEMBL4177968 | 0.76 | VCP (0.34) | — | |
| SCHEMBL4186168 | 0.75 | TUBB4A (0.37) | — | |
| SCHEMBL4170941 | 0.74 | ACHE (0.35) | — | |
| SCHEMBL4181574 | 0.73 | TUBB4A (0.36) | — | |
| SCHEMBL4181018 | 0.72 | FLT1 (0.36) | — | |
| SCHEMBL4177940 | 0.71 | HTR1A (0.35) | — | |
| SCHEMBL4171231 | 0.70 | VCP (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |