⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14567533 | 1.00 | — | — | |
| SCHEMBL5518241 | 1.00 | — | — | |
| SCHEMBL5518247 | 1.00 | — | — | |
| SCHEMBL5520200 | 0.90 | — | — | |
| SCHEMBL5520207 | 0.90 | — | — | |
| SCHEMBL14567532 | 0.90 | — | — | |
| SCHEMBL5520211 | 0.90 | — | — | |
| SCHEMBL5514636 | 0.87 | — | — | |
| SCHEMBL6922366 | 0.87 | — | — | |
| SCHEMBL14567541 | 0.87 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7192980-B2 | Certain substituted polyketides, pharmaceutical compositions containing them and their use in treating tumors | NOVARTIS AG (CH) | 2007-03-20 | — | — | US | disclosed |