⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7034441 | 0.77 | — | — | |
| SCHEMBL14784123 | 0.75 | — | — | |
| SCHEMBL12163895 | 0.68 | — | — | |
| SCHEMBL1985536 | 0.60 | — | — | |
| SCHEMBL27199 | 0.60 | — | — | |
| SCHEMBL58418 | 0.60 | — | — | |
| SCHEMBL8894238 | 0.60 | — | — | |
| SCHEMBL3663924 | 0.60 | — | — | |
| SCHEMBL3768743 | 0.58 | — | — | |
| SCHEMBL3768736 | 0.58 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140275017-A1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2014-09-18 | — | — | US | disclosed |
| US-20140275017-A1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2014-09-18 | — | — | US | disclosed |
| US-8778957-B2 | CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2014-07-15 | — | — | US | disclosed |
| US-8778957-B2 | CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2014-07-15 | — | — | US | disclosed |
| US-8507477-B2 | 3- and 6-quinolines with N-attached heterocyclic CGRP receptor antagonists | Merck, Sharp & Dohme, Corp. (US) | 2013-08-13 | — | — | US | disclosed |
| US-8507477-B2 | 3- and 6-quinolines with N-attached heterocyclic CGRP receptor antagonists | Merck, Sharp & Dohme, Corp. (US) | 2013-08-13 | — | — | US | disclosed |
| US-20120010193-A1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2012-01-12 | — | — | US | disclosed |
| US-20120010193-A1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2012-01-12 | — | — | US | disclosed |
| US-20110306604-A1 | 3- AND 6-QUINOLINES WITH N-ATTACHED HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LLC | 2011-12-15 | — | — | US | disclosed |
| US-20110306604-A1 | 3- AND 6-QUINOLINES WITH N-ATTACHED HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LLC | 2011-12-15 | — | — | US | disclosed |
| WO-2010107605-A1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2010-09-23 | — | — | WO | disclosed |
| EP-2174939-A1 | Pyranones useful as ATM inhibitors | Kudos Pharmaceuticals Limited (GB) | 2010-04-14 | — | — | EP | disclosed |
| WO-2010021919-A1 | 3- AND 6-QUINOLINES WITH N-ATTACHED HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2010-02-25 | — | — | WO | disclosed |
| EP-1485377-B1 | PYRANONES USEFUL AS ATM INHIBITORS | KUDOS PHARM LTD (GB) | 2009-12-09 | — | — | EP | disclosed |