⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18832370 | 1.00 | — | — | |
| SCHEMBL20391285 | 0.86 | — | — | |
| SCHEMBL18832608 | 0.72 | — | — | |
| SCHEMBL13626381 | 0.72 | — | — | |
| SCHEMBL2302701 | 0.72 | — | — | |
| SCHEMBL262126 | 0.72 | — | — | |
| SCHEMBL18827395 | 0.70 | — | — | |
| SCHEMBL15214691 | 0.70 | — | — | |
| SCHEMBL13948664 | 0.70 | — | — | |
| SCHEMBL8283271 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021147986-A1 | CEPHALOSPORIN ANTIBACTERIAL COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF | 上海森辉医药有限公司 | 2021-07-29 | — | — | WO | disclosed |