⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8010941 | 0.76 | — | — | |
| SCHEMBL711772 | 0.76 | — | — | |
| SCHEMBL2303541 | 0.76 | — | — | |
| SCHEMBL5868540 | 0.76 | — | — | |
| SCHEMBL5868537 | 0.76 | — | — | |
| SCHEMBL9576777 | 0.76 | — | — | |
| SCHEMBL9576775 | 0.76 | — | — | |
| SCHEMBL5868588 | 0.74 | — | — | |
| SCHEMBL13703080 | 0.74 | — | — | |
| SCHEMBL13703079 | 0.74 | — | — |
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-2010045719-A1 | METHOD FOR INHIBITING THE OXIDIZATION OF VO(ACAC)2 IN SOLUTION | THE UNIVERSITY OF WESTERN ONTARIO (CA) | 2010-04-29 | — | — | WO | disclosed |