⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL703628 | 0.76 | — | — | |
| SCHEMBL5831589 | 0.76 | — | — | |
| SCHEMBL3914082 | 0.74 | — | — | |
| SCHEMBL24797513 | 0.73 | CETP (0.37) | — | |
| SCHEMBL140067 | 0.71 | — | — | |
| SCHEMBL5224648 | 0.71 | — | — | |
| SCHEMBL8846452 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL7663383 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL22287292 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL2520308 | 0.69 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2654423-B1 | FUSED HETEROCYCLIC AZAINDANE CARBOXAMIDE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2016-12-07 | — | — | EP | disclosed |
| EP-2654421-B1 | FUSED HETEROCYCLIC INDANE CARBOXAMIDE AS CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2016-10-19 | — | — | EP | disclosed |
| US-9067941-B2 | Fused heterocyclic azaindane carboxamide CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2015-06-30 | — | — | US | disclosed |
| US-8895572-B2 | Fused heterocyclic indane carboxamide CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2014-11-25 | — | — | US | disclosed |
| EP-2654423-A1 | FUSED HETEROCYCLIC AZAINDANE CARBOXAMIDE CGRP RECEPTOR ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2013-10-30 | — | — | EP | disclosed |
| EP-2654421-A1 | FUSED HETEROCYCLIC INDANE CARBOXAMIDE CGRP RECEPTOR ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2013-10-30 | — | — | EP | disclosed |
| US-20130267541-A1 | FUSED HETEROCYCLIC AZAINDANE CARBOXAMIDE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LLC | 2013-10-10 | — | — | US | disclosed |
| US-20130261138-A1 | FUSED HETEROCYCLIC INDANE CARBOXAMIDE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LLC | 2013-10-03 | — | — | US | disclosed |
| WO-2013066360-A1 | FUSED HETEROCYCLIC AZAINDANE CARBOXAMIDE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2013-05-10 | — | — | WO | disclosed |
| WO-2012087777-A1 | FUSED HETEROCYCLIC INDANE CARBOXAMIDE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2012-06-28 | — | — | WO | disclosed |
| US-8039460-B2 | CGRP (Calcitonin Gene-Related Peptide); migraine and cluster headache; compounds based on 6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine or 6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine | MERCK SHARP & DOHME CORP. (US) | 2011-10-18 | — | — | US | disclosed |
| EP-1802637-B1 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2008-10-15 | — | — | EP | disclosed |
| US-20080113966-A1 | Cgrp Receptor Antagonists | MERCK SHARP & DOHME LLC | 2008-05-15 | — | — | US | disclosed |
| EP-1802637-A1 | CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2007-07-04 | — | — | EP | disclosed |
| WO-2006044504-A1 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2006-04-27 | — | — | WO | disclosed |