⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9914182 | 1.00 | — | — | |
| SCHEMBL469827 | 1.00 | — | — | |
| SCHEMBL777007 | 0.72 | — | — | |
| SCHEMBL17827076 | 0.72 | — | — | |
| SCHEMBL3240862 | 0.69 | — | — | |
| SCHEMBL27304560 | 0.63 | — | — | |
| SCHEMBL9809345 | 0.63 | — | — | |
| SCHEMBL31580314 | 0.62 | TDP1 (0.40) | — | |
| SCHEMBL27751394 | 0.61 | — | — | |
| SCHEMBL24739 | 0.59 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130012434-A1 | NOVEL SPIRO IMIDAZOLONES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE | MERCK SHARP & DOHME CORP. | 2013-01-10 | — | — | US | disclosed |
| US-8242134-B2 | Isoquinolinone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2012-08-14 | — | — | US | disclosed |
| US-8173639-B2 | Isoquinolinone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2012-05-08 | — | — | US | disclosed |
| US-20110288120-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2011-11-24 | — | — | US | disclosed |
| US-20110224247-A1 | AZAISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2011-09-15 | — | — | US | disclosed |
| US-20110144164-A1 | Pyridone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2011-06-16 | — | — | US | disclosed |
| US-20110130407-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2011-06-02 | — | — | US | disclosed |
| US-7888351-B2 | Organic compounds | NOVARTIS AG (CH) | 2011-02-15 | — | — | US | disclosed |
| US-20100076016-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-03-25 | — | — | US | disclosed |
| US-20090281069-A1 | ORGANIC COMPOUNDS | BAESCHLIN DANIEL KASPAR | 2009-11-12 | — | — | US | disclosed |
| US-20090143402-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2009-06-04 | — | — | US | disclosed |