⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL607655 | 0.87 | NR1H2 (0.31) | — | |
| SCHEMBL608659 | 0.85 | MEP1B (0.30) | — | |
| SCHEMBL10188265 | 0.76 | MAPT (0.32) | — | |
| SCHEMBL607656 | 0.72 | NR1H2 (0.32) | — | |
| SCHEMBL4758566 | 0.66 | CA1 (0.32) | — | |
| SCHEMBL606872 | 0.66 | TDP1 (0.49) | — | |
| SCHEMBL10188248 | 0.63 | GAA (0.32) | — | |
| SCHEMBL141512 | 0.63 | CNR1 (0.35) | — | |
| SCHEMBL116280 | 0.63 | CES2 (0.45) | — | |
| SCHEMBL1476095 | 0.62 | MEP1B (0.34) | — |
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-8946422-B2 | 8-methoxy-9H-isothiazolo[5,4-B]quinoline-3,4-diones and related compounds as anti-infective agents | ACHILLION PHARMACEUTICALS, INC. (US) | 2015-02-03 | — | — | US | disclosed |
| US-20120040959-A1 | 8-METHOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS | ACHILLION PHARMACEUTICALS, INC. (US) | 2012-02-16 | — | — | US | disclosed |
| US-8044204-B2 | 8-methoxy-9H-isothiazolo[5,4-b]quinoline-3,4-diones and related compounds as anti-infective agents | ACHILLION PHARMACEUTICALS, INC. (US) | 2011-10-25 | — | — | US | disclosed |
| EP-1913004-B1 | 8-METHOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS | ACHILLION PHARMACEUTICALS INC (US) | 2010-09-22 | — | — | EP | disclosed |
| EP-1913004-A1 | 8-METHOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS | Achillion Pharmaceuticals, Inc. (US) | 2008-04-23 | — | — | EP | disclosed |
| US-20070049586-A1 | 8-methoxy-9H-isothiazolo[5,4-b]quinoline-3,4-diones and related compounds as anti-infective agents | ACHILLION PHARMACEUTICALS, INC. | 2007-03-01 | — | — | US | disclosed |
| WO-2007014308-A1 | 8-METHOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS | ACHILLION PHARMACEUTICALS, INC. (US) | 2007-02-01 | — | — | WO | disclosed |