⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23930268 | 1.00 | — | — | |
| SCHEMBL25423496 | 0.72 | — | — | |
| SCHEMBL30006901 | 0.72 | ALDH1A1 (0.40) | — | |
| SCHEMBL23958722 | 0.72 | — | — | |
| SCHEMBL25687041 | 0.72 | ALDH1A1 (0.40) | — | |
| SCHEMBL23958720 | 0.71 | JAK2 (0.31) | — | |
| SCHEMBL23958721 | 0.70 | JAK2 (0.38) | — | |
| SCHEMBL28909212 | 0.69 | — | — | |
| SCHEMBL30692529 | 0.69 | — | — | |
| SCHEMBL25279779 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115461336-A | RSV inhibiting 3-substituted quinoline and cinnoline derivatives | 爱尔兰詹森科学公司 | 2022-12-09 | — | — | CN | disclosed |