⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL224635 | 0.79 | ALOX5 (0.41) | — | |
| Hydrochloric Acid SCHEMBL7159864 | 0.77 | ALOX5 (0.39) | — | |
| Hydrochloric Acid SCHEMBL6760431 | 0.77 | ALOX5 (0.39) | — | |
| Biphenyl SCHEMBL12979723 | 0.72 | ALDH1A1 (0.36) | — | |
| SCHEMBL18209132 | 0.71 | ALOX5 (0.34) | — | |
| SCHEMBL7441406 | 0.69 | ALOX5 (0.35) | — | |
| SCHEMBL1938607 | 0.68 | ALOX5 (0.32) | — | |
| Trifluoroacetic Acid SCHEMBL2072797 | 0.68 | CES1 (0.35) | — | |
| Trifluoroacetic Acid SCHEMBL2072798 | 0.68 | CES1 (0.35) | — | |
| SCHEMBL1551592 | 0.62 | — | — |
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-1019578-B | The preparation method of quinoline carboxylic acid derivative | KANEBO LTD (JP) | 1992-12-23 | — | — | CN | disclosed |
| CN-88101987-A | Quinoline carboxylic acid derivative and the antiseptic-germicide that contains them | — | 1988-11-09 | — | — | CN | disclosed |