⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13502831 | 1.00 | — | — | |
| SCHEMBL13502829 | 0.85 | — | — | |
| SCHEMBL3551381 | 0.85 | — | — | |
| SCHEMBL3556040 | 0.78 | — | — | |
| SCHEMBL6673956 | 0.76 | CAMKK1 (0.30) | — | |
| SCHEMBL14760314 | 0.73 | — | — | |
| SCHEMBL12250247 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL2384946 | 0.72 | — | — | |
| SCHEMBL6347625 | 0.68 | — | — | |
| SCHEMBL6347329 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7659399-B2 | 1-thia-2,4a-diaza-cyclopenta[b]napththalene-3,4-diones and related compounds as anti-infective agents | ACHILLION PHARMACEUTICALS, INC. (US) | 2010-02-09 | — | — | US | claimed |
| US-20070129333-A1 | 1-Thia-2,4a-diaza-cyclopenta[b]naphthalene-3,4-diones and related compounds as anti-infective agents | ACHILLION PHARMACEUTICALS, INC. | 2007-06-07 | — | — | US | claimed |
| WO-2006074317-A1 | 1-THIA-2,4A-DIAZA-CYCLOPENTA[B]NAPHTHALENE-3,4-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS | ACHILLION PHARMACEUTICALS, INC. (US) | 2006-07-13 | — | — | WO | claimed |
| US-7659399-B2 | 1-thia-2,4a-diaza-cyclopenta[b]napththalene-3,4-diones and related compounds as anti-infective agents | ACHILLION PHARMACEUTICALS, INC. (US) | 2010-02-09 | — | — | US | disclosed |
| US-20070129333-A1 | 1-Thia-2,4a-diaza-cyclopenta[b]naphthalene-3,4-diones and related compounds as anti-infective agents | ACHILLION PHARMACEUTICALS, INC. | 2007-06-07 | — | — | US | disclosed |