⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6080332 | 1.00 | — | — | |
| SCHEMBL6080340 | 1.00 | — | — | |
| SCHEMBL6079753 | 1.00 | — | — | |
| SCHEMBL14861354 | 0.76 | SMN1; SMN2 (0.31) | — | |
| Hydrochloric Acid SCHEMBL29698969 | 0.73 | — | — | |
| SCHEMBL17125730 | 0.72 | — | — | |
| SCHEMBL17125717 | 0.72 | — | — | |
| SCHEMBL17044831 | 0.71 | — | — | |
| SCHEMBL17044830 | 0.71 | — | — | |
| SCHEMBL1305814 | 0.71 | GABRA5 (0.40) | — |
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-20060041123-A1 | Antibacterial agents | GLAXO GROUP LIMITED (GB) | 2006-02-23 | — | — | US | disclosed |