⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11007598 | 0.94 | HTR2A (0.31) | — | |
| SCHEMBL13383443 | 0.92 | — | — | |
| SCHEMBL8122730 | 0.90 | ALDH1A1 (0.31) | — | |
| SCHEMBL23330053 | 0.89 | — | — | |
| SCHEMBL5432009 | 0.88 | — | — | |
| SCHEMBL5783631 | 0.85 | HTR2A (0.31) | — | |
| SCHEMBL29297608 | 0.82 | — | — | |
| SCHEMBL5429965 | 0.81 | HTR2A (0.31) | — | |
| SCHEMBL13383447 | 0.77 | — | — | |
| SCHEMBL11073756 | 0.77 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7691844-B2 | Nonpeptide substituted spirobenzoazepines as vasopressin antagonists | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2010-04-06 | — | — | US | disclosed |
| US-7365062-B2 | Nonpeptide substituted spirobenzoazepines as vasopressin antagonists | ORTHO MCNEIL PHARMACEUTICAL, INC. (US) | 2008-04-29 | — | — | US | disclosed |
| US-20070135409-A1 | Nonpeptide substituted spirobenzoazepines as vasopressin antagonists | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2007-06-14 | — | — | US | disclosed |
| US-20070117790-A1 | 4-(2-fluorophenylbenzoyl-4-aminobenzoyl)-3'-(2-(N,N-dimethylaminoethylaminocarbonyl))-4-aza-[6,4]-spiro-[5,6]-benzoundec-2'-ene; inner ear disorders, hypertension, congestive heart failure, cardiac insufficiency, coronary vasospasm, cardiac ischemia, liver cirrhosis, renal vasospasm, renal failure | ORTHO MCNEIL PHARMACEUTICAL, INC. | 2007-05-24 | — | — | US | disclosed |