⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14725015 | 0.85 | CYP2D6 (0.35) | — | |
| SCHEMBL338326 | 0.85 | CYP2D6 (0.35) | — | |
| SCHEMBL338249 | 0.85 | CYP2D6 (0.35) | — | |
| SCHEMBL6971105 | 0.82 | OGA (0.30) | — | |
| SCHEMBL15292873 | 0.82 | OGA (0.30) | — | |
| SCHEMBL17972459 | 0.82 | OGA (0.30) | — | |
| SCHEMBL18510838 | 0.78 | — | — | |
| SCHEMBL16027475 | 0.75 | HSD17B10 (0.43) | — | |
| SCHEMBL20557502 | 0.75 | ALDH1A1 (0.45) | — | |
| SCHEMBL16576324 | 0.75 | ALDH1A1 (0.45) | — |
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-20240238323-A1 | MODIFIED NUCLEOSIDES AND NUCLEOTIDES ANALOGS AS ANTIVIRAL AGENTS FOR CORONA AND OTHER VIRUSES | EMORY UNIVERSITY | 2024-07-18 | — | — | US | disclosed |