⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL605801 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL606325 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL606324 | 0.99 | — | — | |
| SCHEMBL9824884 | 0.87 | KMT2A (0.46) | — | |
| SCHEMBL606887 | 0.85 | — | — | |
| SCHEMBL9824733 | 0.84 | — | — | |
| SCHEMBL9824335 | 0.83 | — | — | |
| SCHEMBL608249 | 0.83 | IKBKB (0.52) | — | |
| SCHEMBL607119 | 0.82 | — | — | |
| SCHEMBL9824655 | 0.82 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |