⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29021405 | 0.92 | — | — | |
| Acetic Acid SCHEMBL27689136 | 0.89 | — | — | |
| SCHEMBL28175986 | 0.89 | — | — | |
| Methyl Alcohol SCHEMBL27979683 | 0.88 | — | — | |
| SCHEMBL1331358 | 0.88 | — | — | |
| SCHEMBL9584 | 0.88 | — | — | |
| SCHEMBL27679189 | 0.88 | TSHR (0.54) | — | |
| SCHEMBL1332028 | 0.88 | — | — | |
| SCHEMBL1331137 | 0.88 | — | — | |
| SCHEMBL10655808 | 0.86 | — | — |
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-106279189-B | A kind of quinoline derivatives and preparation method thereof and application in preparation of anti-tumor drugs | 中山大学 | 2019-02-12 | — | — | CN | disclosed |