⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20593969 | 0.97 | CES1 (0.69) | — | |
| SCHEMBL108066 | 0.97 | — | — | |
| SCHEMBL30509780 | 0.94 | — | — | |
| SCHEMBL29809850 | 0.94 | — | — | |
| SCHEMBL5152532 | 0.94 | — | — | |
| SCHEMBL28638462 | 0.94 | — | — | |
| SCHEMBL727015 | 0.94 | — | — | |
| SCHEMBL30540020 | 0.94 | — | — | |
| SCHEMBL28823974 | 0.94 | — | — | |
| SCHEMBL14783884 | 0.88 | CES1 (0.59) | — |
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 |