⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30297897 | 0.87 | ALDH1A1 (0.36) | — | |
| SCHEMBL317432 | 0.87 | ALDH1A1 (0.36) | — | |
| SCHEMBL3189139 | 0.80 | — | — | |
| SCHEMBL30147933 | 0.72 | ALDH1A1 (0.34) | — | |
| SCHEMBL712432 | 0.72 | ALDH1A1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL28082955 | 0.70 | ALDH1A1 (0.34) | — | |
| SCHEMBL8882728 | 0.69 | POLB (0.42) | — | |
| SCHEMBL316864 | 0.67 | DPP4 (0.30) | — | |
| SCHEMBL30624461 | 0.67 | — | — | |
| SCHEMBL9456026 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100022779-A1 | Isotopically substituted proton pump inhibitors | NYCOMED GMBH (DE) | 2010-01-28 | — | — | US | disclosed |
| US-20100010047-A1 | Isotopically substituted proton pump inhibitors | TAKEDA GMBH (DE) | 2010-01-14 | — | — | US | disclosed |
| US-7601737-B2 | 2-Pyridinyl)methylsulfinyl]-1H-benzimidazole derivatives; substituents include methoxy and difluoromethoxy; at least one alkyl hydrogen is replaced by a deuterium atom: 5-difluoromethoxy-2-[(3-methoxy-4-monodeuteriomethoxy)-2-pyridinyl)methylsulfinyl]-1H-benzimidazole; gastrointestinal disorders | NYCOMED GMBH (DE) | 2009-10-13 | — | — | US | disclosed |
| US-20080146610-A1 | 2-Pyridinyl)methylsulfinyl]-1H-benzimidazole derivatives; substituents include methoxy and difluoromethoxy; at least one alkyl hydrogen is replaced by a deuterium atom: 5-difluoromethoxy-2-[(3-methoxy-4-monodeuteriomethoxy)-2-pyridinyl)methylsulfinyl]-1H-benzimidazole; gastrointestinal disorders | NYCOMED GMBH (DE) | 2008-06-19 | — | — | US | disclosed |