⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19123299 | 0.80 | GBA1 (0.35) | — | |
| SCHEMBL19346293 | 0.77 | — | — | |
| SCHEMBL16442178 | 0.77 | — | — | |
| SCHEMBL24970735 | 0.73 | GBA1 (0.31) | — | |
| SCHEMBL11992654 | 0.73 | GBA1 (0.31) | — | |
| SCHEMBL733154 | 0.73 | — | — | |
| SCHEMBL19087105 | 0.70 | GBA1 (0.41) | — | |
| SCHEMBL12523562 | 0.70 | — | — | |
| SCHEMBL18271379 | 0.70 | — | — | |
| SCHEMBL13900662 | 0.70 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-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-20080071086-A1 | METHOD FOR SYNTHESIS OF 8-ALKOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES | ACHILLION PHARMACEUTICALS, INC. (US) | 2008-03-20 | — | — | US | 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 |