⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL589961 | 0.88 | IKBKB (0.41) | — | |
| SCHEMBL2686968 | 0.87 | — | — | |
| SCHEMBL590844 | 0.85 | IKBKB (0.45) | — | |
| SCHEMBL12250218 | 0.85 | — | — | |
| SCHEMBL2382135 | 0.84 | IKBKB (0.44) | — | |
| Hydrochloric Acid SCHEMBL2383294 | 0.84 | — | — | |
| SCHEMBL2384494 | 0.83 | IKBKB (0.40) | — | |
| SCHEMBL2385588 | 0.82 | IKBKB (0.42) | — | |
| SCHEMBL12250242 | 0.82 | IKBKB (0.42) | — | |
| SCHEMBL12250231 | 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-1848723-B1 | NEW ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS | ACHILLION PHARMACEUTICALS INC (US) | 2010-12-15 | — | — | EP | claimed |