⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1904137 | 0.90 | — | — | |
| SCHEMBL18231306 | 0.84 | — | — | |
| SCHEMBL17432730 | 0.82 | — | — | |
| SCHEMBL15150876 | 0.82 | — | — | |
| SCHEMBL15463095 | 0.82 | — | — | |
| SCHEMBL17358793 | 0.82 | — | — | |
| SCHEMBL17345849 | 0.82 | — | — | |
| SCHEMBL17371322 | 0.82 | — | — | |
| SCHEMBL14051237 | 0.79 | — | — | |
| SCHEMBL15686535 | 0.79 | — | — |
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-9486523-B2 | Compositions and methods for treating and preventing Staphylococcus aureus infections | XBIOTECH, INC. (CA) | 2016-11-08 | — | — | US | disclosed |