⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20959957 | 0.81 | — | — | |
| SCHEMBL17227885 | 0.78 | — | — | |
| SCHEMBL5864304 | 0.77 | — | — | |
| SCHEMBL6903874 | 0.76 | — | — | |
| SCHEMBL17887972 | 0.74 | — | — | |
| SCHEMBL19673760 | 0.70 | — | — | |
| SCHEMBL14036576 | 0.69 | — | — | |
| SCHEMBL20824970 | 0.69 | — | — | |
| SCHEMBL10034732 | 0.69 | — | — | |
| SCHEMBL13758651 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012040853-A1 | GROUP 5 METAL COMPLEXES USEFUL FOR AMINE FUNCTIONALIZATION AND SYNTHETIC PROCESS FOR MANUFACTURE THEREOF | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2012-04-05 | — | — | WO | disclosed |