⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24735068 | 0.95 | — | — | |
| SCHEMBL22062797 | 0.85 | — | — | |
| SCHEMBL25533579 | 0.83 | — | — | |
| SCHEMBL19134722 | 0.80 | — | — | |
| SCHEMBL24330287 | 0.78 | — | — | |
| SCHEMBL19491922 | 0.78 | — | — | |
| SCHEMBL24735051 | 0.77 | — | — | |
| SCHEMBL25565027 | 0.76 | — | — | |
| SCHEMBL24735387 | 0.75 | CHRM2 (0.31) | — | |
| SCHEMBL25726171 | 0.75 | — | — |
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-20230047626-A1 | SMALL MOLECULE ANTIVIRAL DRUG TREATMENT FOR HUMAN PAPILLOMAVIRUS INFECTIONS | THE TRUSTEES OF INDIANA UNIVERSITY | 2023-02-16 | — | — | US | disclosed |