⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13512645 | 0.77 | — | — | |
| SCHEMBL844924 | 0.72 | — | — | |
| SCHEMBL120506 | 0.69 | — | — | |
| SCHEMBL237181 | 0.67 | MAPK1 (0.40) | — | |
| SCHEMBL6176534 | 0.67 | MAPK1 (0.40) | — | |
| SCHEMBL16510237 | 0.65 | MAPK1 (0.33) | — | |
| SCHEMBL194152 | 0.65 | — | — | |
| SCHEMBL13423991 | 0.65 | — | — | |
| SCHEMBL42870 | 0.64 | — | — | |
| SCHEMBL10861190 | 0.61 | — | — |
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 |