⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19102761 | 1.00 | — | — | |
| SCHEMBL17451855 | 0.93 | — | — | |
| SCHEMBL17435538 | 0.93 | — | — | |
| SCHEMBL17451852 | 0.93 | — | — | |
| SCHEMBL17451826 | 0.93 | — | — | |
| SCHEMBL17435540 | 0.93 | — | — | |
| SCHEMBL17435539 | 0.93 | — | — | |
| SCHEMBL19102823 | 0.88 | ACACB (0.33) | — | |
| SCHEMBL19102751 | 0.86 | — | — | |
| SCHEMBL21082156 | 0.85 | — | — |
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 |