⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL2898790 | 0.99 | — | — | |
| SCHEMBL7494743 | 0.81 | KCNH2 (0.34) | — | |
| Garenoxacin SCHEMBL4995275 | 0.81 | KCNH2 (0.40) | — | |
| Garenoxacin SCHEMBL2901743 | 0.81 | KCNH2 (0.40) | — | |
| Garenoxacin SCHEMBL1649428 | 0.80 | KCNH2 (0.40) | — | |
| Garenoxacin SCHEMBL2902130 | 0.80 | KCNH2 (0.40) | — | |
| Garenoxacin SCHEMBL2898521 | 0.80 | KCNH2 (0.39) | — | |
| Garenoxacin SCHEMBL2898526 | 0.80 | KCNH2 (0.39) | — | |
| Garenoxacin SCHEMBL29711350 | 0.80 | KCNH2 (0.39) | — | |
| Garenoxacin SCHEMBL13575803 | 0.79 | KCNH2 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1031569-B1 | SALT OF A 7-ISOINDOLINEQUINOLONECARBOXYLIC ACID DERIVATIVE, MONOHYDRATE THEREOF AND COMPOSITION CONTAINING THE SAME AS ACTIVE INGREDIENT | TOYAMA CHEMICAL CO LTD (JP) | 2010-03-17 | — | — | EP | claimed |