⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12231823 | 1.00 | — | — | |
| SCHEMBL25619305 | 0.83 | — | — | |
| SCHEMBL30966613 | 0.83 | — | — | |
| SCHEMBL31540645 | 0.83 | — | — | |
| SCHEMBL25859911 | 0.83 | — | — | |
| SCHEMBL25633928 | 0.80 | — | — | |
| SCHEMBL25649718 | 0.80 | — | — | |
| SCHEMBL9980315 | 0.79 | — | — | |
| SCHEMBL2757043 | 0.79 | — | — | |
| SCHEMBL2756596 | 0.79 | — | — |
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-12037340-B2 | Pentacyclic derivatives as Zika virus inhibitors | GILEAD SCIENCES, INC. (US) | 2024-07-16 | — | — | US | disclosed |