⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL608305 | 1.00 | — | — | |
| SCHEMBL9824093 | 0.88 | PRKD3 (0.47) | — | |
| SCHEMBL2935966 | 0.88 | ALK (0.34) | — | |
| SCHEMBL608980 | 0.86 | — | — | |
| SCHEMBL607794 | 0.86 | — | — | |
| SCHEMBL607795 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL607954 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL607955 | 0.86 | — | — | |
| SCHEMBL2936532 | 0.85 | KCNH2 (0.43) | — | |
| SCHEMBL10188340 | 0.85 | KCNH2 (0.43) | — |
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 2 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 |