⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9523172 | 1.00 | — | — | |
| SCHEMBL736534 | 1.00 | — | — | |
| SCHEMBL761621 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL7833606 | 0.98 | HTR3A (0.30) | — | |
| Hydrochloric Acid SCHEMBL7833608 | 0.98 | HTR3A (0.30) | — | |
| Hydrochloric Acid SCHEMBL9521326 | 0.98 | HTR3A (0.30) | — | |
| Hydrochloric Acid SCHEMBL6214951 | 0.98 | HTR3A (0.30) | — | |
| SCHEMBL3137959 | 0.80 | HTR3A (0.39) | — | |
| SCHEMBL17125800 | 0.80 | HTR3A (0.39) | — | |
| SCHEMBL6214915 | 0.79 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0347851-B1 | Quinolonecarboxylic acids | SHIONOGI & CO (JP) | 1993-11-10 | — | — | EP | disclosed |
| US-5106854-A | Bactericides | SHIONOGI & CO., LTD. (JP) | 1992-04-21 | — | — | US | disclosed |
| US-4997943-A | Bactericides | SANKYO COMPANY LIMITED (JP) | 1991-03-05 | — | — | US | disclosed |
| EP-0347851-A1 | Quinolonecarboxylic acids | SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) | 1989-12-27 | — | — | EP | disclosed |
| EP-0241206-A2 | Quinoline-3-carboxylic acid derivatives, their preparation and use | Sankyo Company Limited (JP) | 1987-10-14 | — | — | EP | disclosed |