⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2382040 | 0.93 | — | — | |
| SCHEMBL2384196 | 0.87 | — | — | |
| SCHEMBL2382369 | 0.86 | — | — | |
| SCHEMBL2381943 | 0.83 | — | — | |
| SCHEMBL2383831 | 0.83 | — | — | |
| SCHEMBL2380889 | 0.82 | — | — | |
| SCHEMBL2383058 | 0.81 | — | — | |
| SCHEMBL2381969 | 0.81 | — | — | |
| SCHEMBL2382534 | 0.81 | — | — | |
| SCHEMBL2381858 | 0.81 | — | — |
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-1664062-B1 | ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS | ACHILLION PHARMACEUTICALS INC (US) | 2013-03-13 | — | — | EP | disclosed |