⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16850625 | 0.84 | — | — | |
| SCHEMBL14741493 | 0.67 | TSHR (0.36) | — | |
| SCHEMBL6219705 | 0.67 | — | — | |
| SCHEMBL1835091 | 0.62 | — | — | |
| SCHEMBL1805622 | 0.61 | — | — | |
| SCHEMBL11395914 | 0.61 | — | — | |
| SCHEMBL5077480 | 0.61 | — | — | |
| SCHEMBL23912762 | 0.60 | — | — | |
| Water SCHEMBL27788635 | 0.60 | — | — | |
| SCHEMBL6643089 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3976616-A1 | FUSED HETEROCYCLIC DERIVATIVES AS ANTIVIRAL AGENTS | Janssen Sciences Ireland Unlimited Company (IE) | 2022-04-06 | — | — | EP | disclosed |