⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3226501 | 0.77 | — | — | |
| SCHEMBL4557133 | 0.75 | ALDH1A1 (0.50) | — | |
| SCHEMBL2552416 | 0.75 | ALDH1A1 (0.50) | — | |
| SCHEMBL22828255 | 0.73 | — | — | |
| Methane SCHEMBL29008343 | 0.73 | ALDH1A1 (0.47) | — | |
| SCHEMBL1427091 | 0.71 | — | — | |
| SCHEMBL8782707 | 0.71 | — | — | |
| SCHEMBL31496797 | 0.71 | ALDH1A1 (0.45) | — | |
| SCHEMBL310486 | 0.71 | — | — | |
| SCHEMBL7859122 | 0.71 | — | — |
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 |