⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21552450 | 0.77 | SAT1 (0.36) | — | |
| SCHEMBL25151303 | 0.75 | — | — | |
| SCHEMBL18579219 | 0.68 | — | — | |
| SCHEMBL15505240 | 0.67 | — | — | |
| SCHEMBL15579945 | 0.67 | — | — | |
| SCHEMBL25610529 | 0.65 | — | — | |
| SCHEMBL9550018 | 0.64 | — | — | |
| SCHEMBL3405854 | 0.64 | — | — | |
| SCHEMBL14001873 | 0.64 | TP53 (0.39) | — | |
| SCHEMBL32664106 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |