⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9773530 | 0.77 | — | — | |
| SCHEMBL2221462 | 0.77 | — | — | |
| SCHEMBL4684 | 0.73 | — | — | |
| SCHEMBL236874 | 0.73 | ALDH1A1 (0.38) | — | |
| SCHEMBL6269471 | 0.73 | CYP3A4 (0.37) | — | |
| SCHEMBL7103927 | 0.71 | DNM1 (0.43) | — | |
| SCHEMBL16735764 | 0.71 | — | — | |
| SCHEMBL3297413 | 0.69 | — | — | |
| SCHEMBL866328 | 0.69 | — | — | |
| SCHEMBL9198780 | 0.69 | — | — |
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 15 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 |
| EP-1910293-A1 | ISOTOPICALLY SUBSTITUTED PROTON PUMP INHIBITORS | Nycomed GmbH (DE) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007012650-A1 | ISOTOPICALLY SUBSTITUTED PROTON PUMP INHIBITORS | NYCOMED GMBH (DE) | 2007-02-01 | — | — | WO | disclosed |
| US-5064818-A | PESTICIDAL PYRIMIDINYL (THIONO) (THIO)-PHOSPHORIC (PHOSPHONIC)ACID (AMIDE) ESTERS | BAYER AKTIENGESELLSCHAFT (DE) | 1991-11-12 | — | — | US | disclosed |
| EP-0395968-A1 | (Thiono) (thio)pyrimidyl-phosphonyl (phosphonic) ester (amid) | BAYER AG (DE) | 1990-11-07 | — | — | EP | disclosed |
| EP-0213377-B1 | PHOSPHORIC (PHOSPHONIC) ACID ESTERS | BAYER AG (DE) | 1989-02-15 | — | — | EP | disclosed |
| EP-0167894-B1 | PHOSPHORIC-ACID ESTERS | BAYER AG (DE) | 1988-09-14 | — | — | EP | disclosed |
| US-4665061-A | Certain (O-pyrid-2-yl)-5-trifluormethyl phosphoric, thiophosphoric, dithiophosphoric, phosphoramidic, thiophosphoramidic esters having insecticidal or nematocidal properties | BAYER AKTIENGESELLSCHAFT (DE) | 1987-05-12 | — | — | US | disclosed |
| EP-0173857-A1 | Fungicidal agent based on phosphoryloximinoacetamide | BAYER AG (DE) | 1986-03-12 | — | — | EP | disclosed |
| EP-0167894-A2 | Phosphoric-acid esters | BAYER AG (DE) | 1986-01-15 | — | — | EP | disclosed |
| EP-0132676-A2 | Phosphoric or phosphonic acid esters | BAYER AG (DE) | 1985-02-13 | — | — | EP | disclosed |
| EP-0100476-A2 | Phosphoric-acid esters, process for their preparation and their use as pesticides | BAYER AG (DE) | 1984-02-15 | — | — | EP | disclosed |