⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21138059 | 1.00 | — | — | |
| SCHEMBL24571504 | 1.00 | — | — | |
| SCHEMBL735630 | 1.00 | — | — | |
| SCHEMBL14591994 | 0.85 | — | — | |
| SCHEMBL18593223 | 0.82 | HRH3 (0.30) | — | |
| SCHEMBL24781644 | 0.82 | — | — | |
| SCHEMBL26701179 | 0.78 | MRGPRX2 (0.31) | — | |
| SCHEMBL24572704 | 0.78 | MRGPRX2 (0.31) | — | |
| SCHEMBL14301042 | 0.78 | MRGPRX2 (0.31) | — | |
| SCHEMBL26700166 | 0.78 | — | — |
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-8524736-B2 | Stereoisomeric compounds and methods for the treatment of gastrointestinal and central nervous system disorders | ARMETHEON, INC. (US) | 2013-09-03 | — | — | US | disclosed |
| US-20130040987-A1 | Stereoisomeric Compounds and Methods for the Treatment of Gastrointestinal and Central Nervous System Disorders | ARMETHEON, INC. (US) | 2013-02-14 | — | — | US | disclosed |
| US-8138204-B2 | Emesis, dyspepsia, gastroparesis, constipation, gastroesophageal reflux, or post-operative ileus; cisapride analogs; side effect reduction of adverse events; (R)-quinuclidin-3-yl 6-((3S,4R)-4-(4-amino-5-chloro-2-methoxybenzamido)-3-methoxypiperidin-1-yl)hexanoate or salts | ARYX THERAPEUTICS, INC. (US) | 2012-03-20 | — | — | US | disclosed |
| US-7629466-B2 | Synthetic methods and intermediates for steroisomeric compounds useful for the treatment of gastrointestinal and central nervous system disorders | ARYX THERAPEUTICS, INC. (US) | 2009-12-08 | — | — | US | disclosed |
| US-20090137810-A1 | Synthetic Methods and Intermediates for Stereoisomeric Compounds Useful for the Treatment of Gastrointestinal and Central Nervous System Disorders | ARYX THERAPEUTICS, INC. (US) | 2009-05-28 | — | — | US | disclosed |
| US-20080085921-A1 | Stereoisomeric Compounds And Methods For The Treatment Of Gastrointestinal And Central Nervous System Disorders | ARYX THERAPEUTICS (US) | 2008-04-10 | — | — | US | disclosed |
| US-20080076927-A1 | Synthetic Methods and Intermediates for Stereoisomeric Compounds Useful for the Treatment of Gastrointestinal and Central Nervous System Disorders | ARYX THERAPEUTICS, INC. (US) | 2008-03-27 | — | — | US | disclosed |
| US-7326787-B2 | Synthetic methods and intermediates for stereoisomeric compounds useful for the treatment of gastrointestinal and central nervous system disorders | ARYX THERAPEUTICS, INC. (US) | 2008-02-05 | — | — | US | disclosed |
| US-7282509-B2 | Stereoisomeric compounds and methods for the treatment of gastrointestinal and central nervous system disorders | ARYX THERAPEUTICS (US) | 2007-10-16 | — | — | US | disclosed |
| US-20070078265-A1 | Synthetic Methods and Intermediates for Stereoisomeric Compounds Useful for the Treatment of Gastrointestinal and Central Nervous System Disorders | ARYX THERAPEUTICS (US) | 2007-04-05 | — | — | US | disclosed |
| US-7176218-B2 | Stereoisomeric compounds and methods for the treatment of gastrointestinal and central nervous system disorders | ARYX THERAPEUTICS (US) | 2007-02-13 | — | — | US | disclosed |