⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4639026 | 0.75 | — | — | |
| SCHEMBL11865950 | 0.75 | — | — | |
| SCHEMBL11916708 | 0.73 | — | — | |
| SCHEMBL2084320 | 0.71 | — | — | |
| SCHEMBL11458541 | 0.71 | — | — | |
| SCHEMBL11314107 | 0.71 | — | — | |
| SCHEMBL4989309 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL11705113 | 0.70 | CYP3A4 (0.41) | — | |
| SCHEMBL25300043 | 0.67 | HTT (0.38) | — | |
| SCHEMBL5944667 | 0.67 | CHEK1 (0.39) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2846799-B1 | SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2017-11-15 | — | — | EP | disclosed |
| EP-2846799-B1 | SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2017-11-15 | — | — | EP | disclosed |
| US-9296750-B2 | Spirolactam CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2016-03-29 | — | — | US | disclosed |
| US-9296750-B2 | Spirolactam CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2016-03-29 | — | — | US | disclosed |
| US-9296750-B2 | Spirolactam CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2016-03-29 | — | — | US | disclosed |
| US-20150111914-A1 | SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LLC | 2015-04-23 | — | — | US | disclosed |
| US-20150111914-A1 | SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LLC | 2015-04-23 | — | — | US | disclosed |
| US-20150111914-A1 | SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LLC | 2015-04-23 | — | — | US | disclosed |
| EP-2846799-A1 | SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2015-03-18 | — | — | EP | disclosed |
| WO-2013169567-A1 | SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2013-11-14 | — | — | WO | disclosed |
| WO-2013169567-A1 | SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2013-11-14 | — | — | WO | disclosed |
| US-20090163740-A1 | LIGANDS FOR METALS AS CATALYSTS FOR CARBON-CARBON BOND FORMATION | NATIONAL SUN YAT-SEN UNIVERSITY | 2009-06-25 | — | — | US | disclosed |