⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18825946 | 0.95 | KDR (0.41) | — | |
| SCHEMBL31087550 | 0.93 | KDR (0.43) | — | |
| SCHEMBL146605 | 0.93 | KDR (0.43) | — | |
| Formic Acid SCHEMBL27498740 | 0.88 | HCAR2 (0.38) | — | |
| Formaldehyde SCHEMBL27083167 | 0.84 | HCAR2 (0.40) | — | |
| Cyanide SCHEMBL27524019 | 0.84 | HCAR2 (0.36) | — | |
| SCHEMBL27808201 | 0.82 | HCAR2 (0.32) | — | |
| SCHEMBL28686716 | 0.82 | ADORA2B (0.34) | — | |
| SCHEMBL10726486 | 0.82 | HCAR2 (0.36) | — | |
| SCHEMBL1365978 | 0.80 | HCAR2 (0.38) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8207331-B2 | Benzazepine derivatives for the treatment of neurological disorders | GLAXO GROUP LIMITED (GB) | 2012-06-26 | — | — | US | disclosed |
| US-7799773-B2 | Benzazepine derivatives for the treatment of neurological disorders | GLAXO GROUP LIMITED (GB) | 2010-09-21 | — | — | US | disclosed |
| US-20100145040-A1 | Benzazepine Derivatives For The Treatment of Neurological Disorders | GLAXO GROUP LIMITED | 2010-06-10 | — | — | US | disclosed |
| US-7704994-B2 | Benzazepine derivatives for the treatment of neurological disorders | GLAXO GROUP LIMITED (GB) | 2010-04-27 | — | — | US | disclosed |
| US-7696193-B2 | Benzazepine derivatives for the treatment of neurological disorders | GLAXO GROUP LIMITED (GB) | 2010-04-13 | — | — | US | disclosed |
| US-20090105226-A1 | BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS | BAMFORD MARK JAMES | 2009-04-23 | — | — | US | disclosed |
| US-20070299056-A1 | BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS | BAMFORD MARK J | 2007-12-27 | — | — | US | disclosed |
| US-20060040918-A1 | Benzo d!azepine derivatives for the treatment of neurological disorders | GLAXO GROUP LIMITED (GB) | 2006-02-23 | — | — | US | disclosed |