⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL261506 | 0.77 | CALCRL (0.46) | — | |
| SCHEMBL261541 | 0.75 | CALCRL (0.33) | — | |
| SCHEMBL261480 | 0.73 | AHR (0.31) | — | |
| SCHEMBL261470 | 0.71 | CALCRL (0.34) | — | |
| SCHEMBL261520 | 0.71 | CALCRL (0.46) | — | |
| SCHEMBL12429958 | 0.66 | KMT2A (0.32) | — | |
| SCHEMBL12430572 | 0.64 | HPGD (0.38) | — | |
| SCHEMBL261540 | 0.64 | CALCRL (0.47) | — | |
| SCHEMBL261482 | 0.63 | KDM4E (0.31) | — | |
| SCHEMBL261479 | 0.63 | CALCRL (0.32) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8133891-B2 | Tricyclic anilide spirolactam CGRP receptor antagonists | Merck, Sharp & Dohme Corp. (US) | 2012-03-13 | — | — | US | disclosed |
| US-8133891-B2 | Tricyclic anilide spirolactam CGRP receptor antagonists | Merck, Sharp & Dohme Corp. (US) | 2012-03-13 | — | — | US | disclosed |
| US-20100160334-A1 | TRICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LLC | 2010-06-24 | — | — | US | disclosed |
| US-20100160334-A1 | TRICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LLC | 2010-06-24 | — | — | US | disclosed |
| US-7696192-B2 | Tricyclic anilide spirolactam CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2010-04-13 | — | — | US | disclosed |
| EP-1793827-B1 | TRICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2010-04-07 | — | — | EP | disclosed |
| US-20080214511-A1 | Tricyclic Anilide Spirolactam Cgrp Receptor Antagonists | MERCK & CO., INC. (US) | 2008-09-04 | — | — | US | disclosed |