⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9287696 | 1.00 | — | — | |
| SCHEMBL4967575 | 0.89 | SLC6A3 (0.46) | — | |
| SCHEMBL9284514 | 0.87 | SLC6A3 (0.53) | — | |
| SCHEMBL15095815 | 0.80 | — | — | |
| SCHEMBL12297052 | 0.79 | SLC6A2 (0.32) | — | |
| SCHEMBL6914382 | 0.77 | SLC1A2 (0.30) | — | |
| SCHEMBL11117574 | 0.73 | SLC6A3 (0.40) | — | |
| SCHEMBL9289846 | 0.71 | CPN1 (0.44) | — | |
| SCHEMBL8792638 | 0.71 | CHRM2 (0.32) | — | |
| SCHEMBL2486520 | 0.71 | CHRM2 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3150617-A1 | ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS | Achaogen, Inc. (US) | 2017-04-05 | — | — | EP | disclosed |