⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3783469 | 0.74 | CALCRL (0.34) | — | |
| SCHEMBL13015199 | 0.70 | CALCRL (0.33) | — | |
| SCHEMBL13987070 | 0.56 | CALCRL (0.34) | — | |
| SCHEMBL25342321 | 0.56 | AADAT (0.47) | — | |
| SCHEMBL25342324 | 0.56 | AADAT (0.47) | — | |
| SCHEMBL29900459 | 0.53 | ANPEP (0.52) | — | |
| SCHEMBL21332376 | 0.53 | ANPEP (0.52) | — | |
| SCHEMBL1535064 | 0.53 | ANPEP (0.52) | — | |
| SCHEMBL6062320 | 0.53 | ANPEP (0.52) | — | |
| Hydrochloric Acid SCHEMBL4797139 | 0.52 | ANPEP (0.55) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8796260-B2 | Imidazobenzazepine CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2014-08-05 | — | — | US | disclosed |
| US-20100324023-A1 | IMIDAZOBENZAZEPINE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2010-12-23 | — | — | US | disclosed |