⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12932635 | 0.88 | — | — | |
| SCHEMBL10314180 | 0.85 | IKBKB (0.41) | — | |
| SCHEMBL10314183 | 0.85 | — | — | |
| SCHEMBL17677354 | 0.85 | KDM4E (0.52) | — | |
| SCHEMBL12932633 | 0.83 | — | — | |
| SCHEMBL537064 | 0.80 | — | — | |
| SCHEMBL537629 | 0.80 | IKBKB (0.36) | — | |
| SCHEMBL10314181 | 0.77 | KDM4E (0.38) | — | |
| SCHEMBL12932640 | 0.76 | GAA (0.44) | — | |
| SCHEMBL12932632 | 0.75 | KDM4E (0.51) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2414368-B1 | HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS | ACHILLION PHARMACEUTICALS INC (US) | 2013-11-27 | — | — | EP | disclosed |
| US-8173636-B2 | Hydroxylthienoquinolones and related compounds as anti-infective agents | ACHILLION PHARMACEUTICALS, INC. (US) | 2012-05-08 | — | — | US | disclosed |
| EP-2414368-A2 | HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS | Achillion Pharmaceuticals, Inc. (US) | 2012-02-08 | — | — | EP | disclosed |
| US-20100256112-A1 | HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS | ACHILLION PHARMACEUTICALS, INC. (US) | 2010-10-07 | — | — | US | disclosed |
| WO-2010115184-A2 | HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS | ACHILLION PHARMACEUTICALS, INC. (US) | 2010-10-07 | — | — | WO | disclosed |