⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28468771 | 0.84 | LMNA (0.30) | — | |
| SCHEMBL28468773 | 0.84 | LMNA (0.30) | — | |
| SCHEMBL28469554 | 0.84 | LMNA (0.30) | — | |
| SCHEMBL28767637 | 0.77 | — | — | |
| SCHEMBL18343770 | 0.75 | PRKCA (0.38) | — | |
| SCHEMBL18343881 | 0.74 | — | — | |
| SCHEMBL22711197 | 0.72 | CYP2D6 (0.35) | — | |
| SCHEMBL22711173 | 0.72 | CYP2D6 (0.35) | — | |
| SCHEMBL22711177 | 0.72 | CYP2D6 (0.35) | — | |
| SCHEMBL22711265 | 0.72 | MEN1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111670187-A | Beta-lactamase inhibitor and use thereof | 苏州信诺维医药科技有限公司 | 2020-09-15 | — | — | CN | disclosed |