⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL589953 | 0.92 | — | — | |
| SCHEMBL4758619 | 0.91 | — | — | |
| SCHEMBL2384585 | 0.90 | — | — | |
| SCHEMBL2383623 | 0.90 | — | — | |
| SCHEMBL2685485 | 0.88 | — | — | |
| SCHEMBL589136 | 0.85 | — | — | |
| SCHEMBL2688264 | 0.85 | — | — | |
| SCHEMBL2688300 | 0.85 | — | — | |
| SCHEMBL2383257 | 0.84 | — | — | |
| SCHEMBL2384749 | 0.84 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120114601-A1 | NEW ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS | ACHILLION PHARMACEUTICALS, INC. (US) | 2012-05-10 | — | — | US | claimed |
| EP-1848723-B1 | NEW ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS | ACHILLION PHARMACEUTICALS INC (US) | 2010-12-15 | — | — | EP | claimed |
| US-20060235041-A1 | New isothiazoloquinolones and related compounds as anti-infective agents | ACHILLION PHARMACEUTICALS, INC. | 2006-10-19 | — | — | US | claimed |
| EP-2414368-B1 | HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS | ACHILLION PHARMACEUTICALS INC (US) | 2013-11-27 | — | — | EP | disclosed |
| US-8173636-B2 | Hydroxylthienoquinolones and related compounds as anti-infective agents | ACHILLION PHARMACEUTICALS, INC. (US) | 2012-05-08 | — | — | US | disclosed |
| EP-1848723-B1 | NEW ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS | ACHILLION PHARMACEUTICALS INC (US) | 2010-12-15 | — | — | EP | disclosed |
| US-20100256112-A1 | HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS | ACHILLION PHARMACEUTICALS, INC. (US) | 2010-10-07 | — | — | US | disclosed |