⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15352752 | 0.73 | — | — | |
| SCHEMBL6196792 | 0.73 | NOS3 (0.35) | — | |
| SCHEMBL10517344 | 0.71 | — | — | |
| SCHEMBL1045140 | 0.71 | — | — | |
| SCHEMBL15352946 | 0.68 | SLC6A4 (0.35) | — | |
| SCHEMBL7688798 | 0.68 | CYP1A1 (0.38) | — | |
| SCHEMBL15352500 | 0.67 | NOS3 (0.31) | — | |
| SCHEMBL28072710 | 0.67 | SLC6A4 (0.35) | — | |
| SCHEMBL83839 | 0.66 | ALDH1A1 (0.58) | — | |
| SCHEMBL4035784 | 0.66 | PTGS2 (0.42) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6887864-B2 | Azepane derivatives | HOFFMANN-LA ROCHE INC. (US) | 2005-05-03 | — | — | US | claimed |
| EP-1487819-A2 | AZEPANE DERIVATIVES AND THEIR USE AS ATK1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-12-22 | — | — | EP | claimed |
| US-6716878-B1 | BACTERICIDE, ANTIPROTOZOAL; VANCOMYCIN RESISTANT ENTEROCOCCI AND BETA-LACTAM ANTIBIOTIC-RESISTANT BACTERIA, METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS; HYDROXAMIC ACID AND N-FORMYL SUBTITUTED ALKYLAMIDES | VERNALIS (OXFORD) LIMITED (GB) | 2004-04-06 | — | — | US | claimed |
| US-20030181716-A1 | Novel azepane derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2003-09-25 | — | — | US | claimed |
| WO-2003076429-A2 | AZEPANE DERIVATIVES AND THEIR USE AS ATK1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-09-18 | — | — | WO | claimed |
| JP-2002541197-A | — | — | 2002-12-03 | — | — | JP | claimed |
| EP-1169031-A1 | ANTIMICROBIAL AGENTS | BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) | 2002-01-09 | — | — | EP | claimed |
| WO-2000061134-A1 | ANTIMICROBIAL AGENTS | BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) | 2000-10-19 | — | — | WO | claimed |
| US-6887864-B2 | Azepane derivatives | HOFFMANN-LA ROCHE INC. (US) | 2005-05-03 | — | — | US | disclosed |
| EP-1487819-A2 | AZEPANE DERIVATIVES AND THEIR USE AS ATK1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-12-22 | — | — | EP | disclosed |
| WO-2000061134-A9 | ANTIMICROBIAL AGENTS | BRITISH BIOTECH PHARM (GB) | 2004-04-22 | — | — | WO | disclosed |
| US-6716878-B1 | BACTERICIDE, ANTIPROTOZOAL; VANCOMYCIN RESISTANT ENTEROCOCCI AND BETA-LACTAM ANTIBIOTIC-RESISTANT BACTERIA, METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS; HYDROXAMIC ACID AND N-FORMYL SUBTITUTED ALKYLAMIDES | VERNALIS (OXFORD) LIMITED (GB) | 2004-04-06 | — | — | US | disclosed |
| US-20030181716-A1 | Novel azepane derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2003-09-25 | — | — | US | disclosed |
| WO-2003076429-A2 | AZEPANE DERIVATIVES AND THEIR USE AS ATK1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-09-18 | — | — | WO | disclosed |
| EP-1169031-A1 | ANTIMICROBIAL AGENTS | BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) | 2002-01-09 | — | — | EP | disclosed |
| WO-2000061134-A1 | ANTIMICROBIAL AGENTS | BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) | 2000-10-19 | — | — | WO | disclosed |