⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16878139 | 0.98 | MAPK1 (0.39) | — | |
| SCHEMBL16878036 | 0.93 | — | — | |
| SCHEMBL16877553 | 0.82 | — | — | |
| SCHEMBL2997167 | 0.79 | MAPK1 (0.34) | — | |
| SCHEMBL16878615 | 0.74 | — | — | |
| SCHEMBL16877558 | 0.73 | — | — | |
| SCHEMBL13028620 | 0.71 | MAPK1 (0.41) | — | |
| SCHEMBL16878302 | 0.71 | — | — | |
| SCHEMBL5682444 | 0.70 | L3MBTL1 (0.38) | — | |
| SCHEMBL16877897 | 0.70 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160326157-A1 | MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2016-11-10 | — | — | US | disclosed |
| WO-2015103583-A1 | MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2015-07-09 | — | — | WO | disclosed |