⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2383144 | 1.00 | — | — | |
| SCHEMBL14767560 | 0.91 | — | — | |
| SCHEMBL608616 | 0.80 | — | — | |
| SCHEMBL2935988 | 0.80 | — | — | |
| SCHEMBL609465 | 0.79 | — | — | |
| SCHEMBL2385458 | 0.79 | — | — | |
| SCHEMBL2383056 | 0.79 | — | — | |
| SCHEMBL2385457 | 0.79 | — | — | |
| SCHEMBL2383053 | 0.79 | — | — | |
| SCHEMBL2381898 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20050075363-A1 | Isothiazoloquinolones and related compounds as anti-infective agents | ACHILLION PHARMACEUTICALS, INC. | 2005-04-07 | — | — | US | claimed |
| EP-1664062-B1 | ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS | ACHILLION PHARMACEUTICALS INC (US) | 2013-03-13 | — | — | EP | disclosed |
| US-20110223132-A1 | ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS | ACHILLION PHARMACEUTICALS, INC. (US) | 2011-09-15 | — | — | US | disclosed |
| US-20110223132-A1 | ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS | ACHILLION PHARMACEUTICALS, INC. (US) | 2011-09-15 | — | — | US | disclosed |
| US-20110223132-A1 | ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS | ACHILLION PHARMACEUTICALS, INC. (US) | 2011-09-15 | — | — | US | disclosed |