⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13730689 | 0.76 | — | — | |
| SCHEMBL16808807 | 0.74 | — | — | |
| SCHEMBL28183052 | 0.72 | — | — | |
| SCHEMBL25712755 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL28102742 | 0.70 | — | — | |
| SCHEMBL17144571 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL29100393 | 0.67 | — | — | |
| SCHEMBL28180022 | 0.67 | PDE2A (0.30) | — | |
| SCHEMBL28693363 | 0.67 | OPRM1 (0.46) | — | |
| SCHEMBL28685635 | 0.67 | OPRM1 (0.46) | — |
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 2 patents. 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 |
| CN-106279189-A | A kind of quinoline derivatives and preparation method thereof and the application in preparing antitumor drug | 中山大学 | 2017-01-04 | — | — | CN | disclosed |