⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17435473 | 0.92 | — | — | |
| SCHEMBL14714360 | 0.90 | — | — | |
| SCHEMBL19102756 | 0.88 | — | — | |
| SCHEMBL19102815 | 0.87 | — | — | |
| SCHEMBL19139630 | 0.87 | — | — | |
| SCHEMBL19102801 | 0.86 | — | — | |
| SCHEMBL24003263 | 0.85 | — | — | |
| SCHEMBL14714821 | 0.85 | — | — | |
| SCHEMBL14714552 | 0.83 | — | — | |
| SCHEMBL19102799 | 0.83 | — | — |
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-9701622-B2 | Antibacterial agents | ACHAOGEN, INC. (US) | 2017-07-11 | — | — | US | disclosed |