⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4269512 | 0.79 | — | — | |
| SCHEMBL8332066 | 0.72 | — | — | |
| SCHEMBL78617 | 0.72 | DNM1 (0.47) | — | |
| SCHEMBL12592 | 0.72 | — | — | |
| SCHEMBL16211974 | 0.72 | DNM1 (0.47) | — | |
| SCHEMBL4272321 | 0.71 | — | — | |
| SCHEMBL4272330 | 0.71 | — | — | |
| Iodide SCHEMBL25237255 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL2409160 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL1997515 | 0.69 | DNM1 (0.50) | — |
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 35 patents — showing the first 20. 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 |
| EP-1664062-B1 | ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS | ACHILLION PHARMACEUTICALS INC (US) | 2013-03-13 | — | — | EP | disclosed |
| US-20120114601-A1 | NEW ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS | ACHILLION PHARMACEUTICALS, INC. (US) | 2012-05-10 | — | — | US | disclosed |
| US-8138346-B2 | Method for synthesis of 8-alkoxy-9H-isothiazolo[5,4-B]quinoline-3,4-diones | ACHILLION PHARMACEUTICALS, INC. (US) | 2012-03-20 | — | — | 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-8114888-B2 | Isothiazoloquinolones and related compounds as anti-infective agents | ACHILLION PHARMACEUTICALS, INC. (US) | 2012-02-14 | — | — | 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 |
| US-20110223132-A1 | ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS | ACHILLION PHARMACEUTICALS, INC. (US) | 2011-09-15 | — | — | US | disclosed |
| US-20110213152-A1 | METHOD FOR SYNTHESIS OF 8-ALKOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES | ACHILLION PHARMACEUTICALS, INC. (US) | 2011-09-01 | — | — | US | disclosed |
| US-7902365-B2 | Using a 2-sulfone, 3-carboxylate, 4-oxoquinoline as chemical intermediate ; cyclization | ACHILLION PHARMACEUTICALS, INC. (US) | 2011-03-08 | — | — | US | disclosed |
| WO-2006118605-A2 | 8A, 9-DIHYDRO-4A-H-ISOTHIAZOLO[5,4-B] QUINOLINE-3, 4-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS | ACHILLION PHARMACEUTICALS, INC. (US) | 2006-11-09 | — | — | WO | disclosed |
| US-20060235041-A1 | New isothiazoloquinolones and related compounds as anti-infective agents | ACHILLION PHARMACEUTICALS, INC. | 2006-10-19 | — | — | US | disclosed |
| WO-2006089054-A1 | NEW ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS | ACHILLION PHARMACEUTICALS, INC. (US) | 2006-08-24 | — | — | WO | disclosed |
| WO-2006084053-A1 | 8-N-SUBSTITUTED-2H-ISOTHIAZOLO[5,4-B]QUINOLIZINE-3,4-DIONES AND RELATED COMPOUNDS AS ANTIINFECTIVE AGENTS | ACHILLION PHARMACEUTICALS, INC. (US) | 2006-08-10 | — | — | WO | disclosed |
| US-20060173026-A1 | 8-N-substituted-2H-isothiazolo[5,4-b]quinolizine-3,4-diones and related compounds as antiinfective agents | ACHILLION PHARMACEUTICALS, INC. | 2006-08-03 | — | — | US | disclosed |
| WO-2006074317-A1 | 1-THIA-2,4A-DIAZA-CYCLOPENTA[B]NAPHTHALENE-3,4-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS | ACHILLION PHARMACEUTICALS, INC. (US) | 2006-07-13 | — | — | WO | disclosed |
| EP-1664062-A1 | ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS | Achillion Pharmaceuticals, Inc. (US) | 2006-06-07 | — | — | EP | disclosed |
| US-20060100215-A1 | 8A,9-dihydro-4aH-isothiazolo[5,4-b]quinoline-3,4-diones and related compounds as anti-infective agents | ACHILLION PHARMACEUTICALS, INC. | 2006-05-11 | — | — | US | disclosed |
| US-20050075363-A1 | Isothiazoloquinolones and related compounds as anti-infective agents | ACHILLION PHARMACEUTICALS, INC. | 2005-04-07 | — | — | US | disclosed |
| WO-2005019228-A1 | ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS | ACHILLION PHARMACEUTICALS, INC. (US) | 2005-03-03 | — | — | WO | disclosed |