⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31257627 | 1.00 | — | — | |
| SCHEMBL4985721 | 0.75 | — | — | |
| SCHEMBL13554515 | 0.74 | — | — | |
| SCHEMBL16588274 | 0.70 | — | — | |
| SCHEMBL7699706 | 0.70 | — | — | |
| SCHEMBL1512203 | 0.70 | — | — | |
| SCHEMBL7676041 | 0.70 | MCL1 (0.32) | — | |
| SCHEMBL10454008 | 0.70 | NOS3 (0.33) | — | |
| SCHEMBL10553723 | 0.67 | NOS3 (0.32) | — | |
| SCHEMBL11356272 | 0.64 | CA1 (0.35) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9260418-B2 | Pyranyl aryl methyl benzoquinolinone M1 receptor positive allosteric modulators | MERCK SHARP & DOHME CORP. (US) | 2016-02-16 | — | — | US | disclosed |
| EP-2915812-A1 | Pyranyl aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators | Merck Sharp & Dohme Corp. (US) | 2015-09-09 | — | — | EP | disclosed |
| EP-2915812-A1 | Pyranyl aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators | Merck Sharp & Dohme Corp. (US) | 2015-09-09 | — | — | EP | disclosed |
| EP-2473048-B1 | PYRANYL ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME (US) | 2015-03-25 | — | — | EP | disclosed |
| US-20140364395-A1 | Pyranyl Aryl Methyl Benzoquinolinone M1 Receptor Positive Allosteric Modulators | MERCK SHARP & DOHME (US) | 2014-12-11 | — | — | US | disclosed |
| US-20140364395-A1 | Pyranyl Aryl Methyl Benzoquinolinone M1 Receptor Positive Allosteric Modulators | MERCK SHARP & DOHME (US) | 2014-12-11 | — | — | US | disclosed |
| US-20140364395-A1 | Pyranyl Aryl Methyl Benzoquinolinone M1 Receptor Positive Allosteric Modulators | MERCK SHARP & DOHME (US) | 2014-12-11 | — | — | US | disclosed |
| US-8846702-B2 | Pyranyl aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators | MERCK SHARP & DOHME CORP. (US) | 2014-09-30 | — | — | US | disclosed |
| US-8846702-B2 | Pyranyl aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators | MERCK SHARP & DOHME CORP. (US) | 2014-09-30 | — | — | US | disclosed |
| US-8846702-B2 | Pyranyl aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators | MERCK SHARP & DOHME CORP. (US) | 2014-09-30 | — | — | US | disclosed |
| US-20120157438-A1 | PYRANYL ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME CORP (US) | 2012-06-21 | — | — | US | disclosed |
| US-20120157438-A1 | PYRANYL ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME CORP (US) | 2012-06-21 | — | — | US | disclosed |
| US-20120157438-A1 | PYRANYL ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME CORP (US) | 2012-06-21 | — | — | US | disclosed |