⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL270121 | 0.76 | — | — | |
| SCHEMBL23188220 | 0.75 | GSR (0.33) | — | |
| SCHEMBL271250 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL270914 | 0.72 | — | — | |
| SCHEMBL149924 | 0.71 | — | — | |
| SCHEMBL1830286 | 0.70 | — | — | |
| SCHEMBL270377 | 0.69 | TSHR (0.41) | — | |
| SCHEMBL17313724 | 0.69 | SLC22A6 (0.35) | — | |
| Dimethylformamide SCHEMBL14636376 | 0.68 | TSHR (0.47) | — | |
| SCHEMBL210808 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015103583-A1 | MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2015-07-09 | — | — | WO | disclosed |