⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1287190 | 0.75 | ALDH1A1 (0.50) | — | |
| SCHEMBL863709 | 0.75 | ALDH1A1 (0.50) | — | |
| Bromide SCHEMBL30083679 | 0.73 | ALDH1A1 (0.47) | — | |
| SCHEMBL28253198 | 0.71 | — | — | |
| SCHEMBL44951 | 0.71 | — | — | |
| SCHEMBL574779 | 0.71 | — | — | |
| SCHEMBL28158708 | 0.71 | — | — | |
| SCHEMBL2789858 | 0.70 | TGM2 (0.40) | — | |
| SCHEMBL12652048 | 0.70 | ALDH1A1 (0.39) | — | |
| SCHEMBL2075844 | 0.69 | ALDH1A1 (0.43) | — |
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-108084088-B | Pseudomonas aeruginosa-derived quinoline compound JH62 and application thereof | 华南农业大学 | 2021-03-12 | — | — | CN | disclosed |