⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL144693 | 0.77 | AKR1B1 (0.33) | — | |
| Water SCHEMBL8154773 | 0.75 | AKR1B1 (0.33) | — | |
| SCHEMBL23998056 | 0.72 | AKR1B1 (0.33) | — | |
| SCHEMBL22745719 | 0.71 | CYP2C19 (0.49) | — | |
| SCHEMBL21208412 | 0.70 | CYP2C19 (0.51) | — | |
| SCHEMBL23862377 | 0.70 | CYP2C19 (0.51) | — | |
| SCHEMBL14236451 | 0.69 | — | — | |
| SCHEMBL28142280 | 0.67 | APEX1 (0.30) | — | |
| SCHEMBL1989298 | 0.66 | ALDH1A1 (0.39) | — | |
| SCHEMBL8741818 | 0.66 | ALDH1A1 (0.39) | — |
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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120095057-A1 | PYRAZOLE COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-04-19 | — | — | US | disclosed |
| US-20120088797-A1 | 1-HETEROCYCLYLSULFONYL, 3-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-04-12 | — | — | US | disclosed |
| US-20120035142-A1 | POLYMORPHS OF DARUNAVIR | MAPI PHARMA LIMITED (IL) | 2012-02-09 | — | — | US | disclosed |
| EP-2412713-A1 | PYRAZOLE COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2012-02-01 | — | — | EP | disclosed |
| US-20110288040-A1 | ARYL- OR HETEROARYL-SULFONYL COMPOUNDS AS ACID SECRETION INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-11-24 | — | — | US | disclosed |
| EP-2381786-A1 | POLYMORPHS OF DARUNAVIR | Mapi Pharma Limited (IL) | 2011-11-02 | — | — | EP | disclosed |
| US-8048909-B2 | Proton pump inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-11-01 | — | — | US | disclosed |
| EP-2369926-A1 | PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING AGE-RELATED MACULAR DEGENERATION WITH MELATONIN ANALOGUES | Takeda Pharmaceutical Company Limited (JP) | 2011-10-05 | — | — | EP | disclosed |
| EP-1337525-B8 | PROCESS FOR THE CRYSTALLIZATION OF (R)- OR (S)-LANSOPRAZOLE | TAKEDA PHARMACEUTICAL (JP) | 2011-10-05 | — | — | EP | disclosed |
| EP-1787991-B1 | PYRROLO[2,3-c]PYRIDINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE | TAKEDA PHARMACEUTICAL (JP) | 2011-10-05 | — | — | EP | disclosed |
| WO-2011070560-A1 | PROCESSES FOR THE PREPARATION OF DEFERASIROX, AND DEFERASIROX POLYMORPHS | MAPI PHARMA HK LIMITED (CN) | 2011-06-16 | — | — | WO | disclosed |
| US-20110144161-A1 | 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-06-16 | — | — | US | disclosed |
| EP-2327692-A1 | 1-heterocyclylsulfonyl, 2-aminomethyl, 5-(hetero-)aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors | Takeda Pharmaceutical Company Limited (JP) | 2011-06-01 | — | — | EP | disclosed |
| WO-2011063150-A2 | ORAL FORMULATION FOR DEXLANSOPRAZOLE | HANDA PHARMACEUTICALS, LLC (US) | 2011-05-26 | — | — | WO | disclosed |
| EP-1405621-B1 | METHOD OF MANUFACTURING TABLET | TAKEDA PHARMACEUTICAL (JP) | 2011-05-11 | — | — | EP | disclosed |
| EP-1919865-B1 | 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS | TAKEDA PHARMACEUTICAL (JP) | 2011-04-06 | — | — | EP | disclosed |
| EP-2292612-A2 | Crystalline solvated forms of (R)-2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]-1H-benzimidazole | Takeda Pharmaceutical Company Limited (JP) | 2011-03-09 | — | — | EP | disclosed |
| US-20110028476-A1 | PROTON PUMP INHIBITORS | KAJINO MASAHIRO | 2011-02-03 | — | — | US | disclosed |
| EP-2275088-A2 | Method for producing granules | Takeda Pharmaceutical Company Limited (JP) | 2011-01-19 | — | — | EP | disclosed |
| US-7871793-B2 | Antimicrobial carbohydrates and methods of using same | BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) | 2011-01-18 | — | — | US | disclosed |