⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20935268 | 0.87 | CYP2D6 (0.34) | — | |
| SCHEMBL25801439 | 0.82 | — | — | |
| SCHEMBL19826493 | 0.81 | KAT2B (0.32) | — | |
| SCHEMBL13946068 | 0.78 | CYP2D6 (0.32) | — | |
| SCHEMBL14497308 | 0.78 | — | — | |
| SCHEMBL23695712 | 0.76 | HRH3 (0.31) | — | |
| SCHEMBL15235295 | 0.75 | CYP2D6 (0.32) | — | |
| SCHEMBL27420745 | 0.75 | SIGMAR1 (0.31) | — | |
| SCHEMBL14453867 | 0.73 | — | — | |
| SCHEMBL25773257 | 0.72 | — | — |
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-8173636-B2 | Hydroxylthienoquinolones and related compounds as anti-infective agents | ACHILLION PHARMACEUTICALS, INC. (US) | 2012-05-08 | — | — | US | disclosed |
| US-20100256112-A1 | HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS | ACHILLION PHARMACEUTICALS, INC. (US) | 2010-10-07 | — | — | US | disclosed |