⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL731349 | 1.00 | — | — | |
| SCHEMBL733270 | 0.85 | — | — | |
| SCHEMBL733196 | 0.85 | — | — | |
| SCHEMBL12278314 | 0.82 | — | — | |
| SCHEMBL731345 | 0.79 | — | — | |
| SCHEMBL16984152 | 0.78 | — | — | |
| SCHEMBL18600355 | 0.78 | — | — | |
| SCHEMBL10086966 | 0.75 | — | — | |
| SCHEMBL10086959 | 0.75 | — | — | |
| SCHEMBL18925626 | 0.74 | — | — |
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-7902365-B2 | Using a 2-sulfone, 3-carboxylate, 4-oxoquinoline as chemical intermediate ; cyclization | ACHILLION PHARMACEUTICALS, INC. (US) | 2011-03-08 | — | — | 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 |