⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13885338 | 0.86 | — | — | |
| SCHEMBL12333883 | 0.83 | ADORA1 (0.30) | — | |
| SCHEMBL13459245 | 0.78 | — | — | |
| SCHEMBL5208686 | 0.78 | — | — | |
| SCHEMBL12306279 | 0.78 | — | — | |
| SCHEMBL11310736 | 0.74 | CNR2 (0.33) | — | |
| SCHEMBL775900 | 0.74 | — | — | |
| SCHEMBL575756 | 0.73 | — | — | |
| Propane SCHEMBL8503602 | 0.73 | ADORA1 (0.30) | — | |
| SCHEMBL14959705 | 0.72 | PARP14 (0.31) | — |
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-8445476-B2 | Carbacephem β-lactam antibiotics | ACHAOGEN, INC. (US) | 2013-05-21 | — | — | US | disclosed |