⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL80843 | 0.79 | — | — | |
| SCHEMBL2267946 | 0.79 | — | — | |
| SCHEMBL475385 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL28298516 | 0.77 | — | — | |
| SCHEMBL11664765 | 0.76 | — | — | |
| SCHEMBL4557041 | 0.75 | — | — | |
| SCHEMBL8848380 | 0.75 | — | — | |
| Ethane SCHEMBL28373914 | 0.75 | — | — | |
| SCHEMBL9609516 | 0.75 | — | — | |
| SCHEMBL28164332 | 0.75 | SLC6A2 (0.33) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1963331-A1 | AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS | Exelixis, Inc. (US) | 2008-09-03 | — | — | EP | claimed |
| WO-2007070796-A1 | AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS | EXELIXIS, INC. (US) | 2007-06-21 | — | — | WO | claimed |
| CN-106188175-A | Use antibacterial aminoglycoside compounds for treating klebsiella pneumoniae infections | 尔察祯有限公司 | 2016-12-07 | — | — | CN | disclosed |
| CN-102481307-B | Treatment of klebsiella pneumoniae infections with antibacterial aminoglycoside compounds | 尔察祯有限公司 | 2016-08-24 | — | — | CN | disclosed |
| EP-1963331-A1 | AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS | Exelixis, Inc. (US) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007070796-A1 | AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS | EXELIXIS, INC. (US) | 2007-06-21 | — | — | WO | disclosed |