⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL181354 | 0.97 | — | — | |
| SCHEMBL5551315 | 0.93 | — | — | |
| SCHEMBL5556710 | 0.93 | — | — | |
| SCHEMBL10458831 | 0.93 | — | — | |
| SCHEMBL11650195 | 0.93 | — | — | |
| Phosphoric Acid SCHEMBL16965610 | 0.85 | ALDH1A1 (0.43) | — | |
| Ethylene SCHEMBL27794835 | 0.85 | ALDH1A1 (0.50) | — | |
| Propene SCHEMBL28606488 | 0.85 | — | — | |
| SCHEMBL9633170 | 0.81 | — | — | |
| SCHEMBL8622405 | 0.77 | ALDH1A1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117599179-A | Application of surface-modified anti-adhesion nano-enzyme in treatment of related diseases caused by escherichia coli | 南京大学 | 2024-02-27 | — | — | CN | claimed |
| CN-117599179-A | Application of surface-modified anti-adhesion nano-enzyme in treatment of related diseases caused by escherichia coli | 南京大学 | 2024-02-27 | — | — | CN | disclosed |