⚠ 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 | |
|---|---|---|---|---|
| Vinyl Ether SCHEMBL27905889 | 0.83 | — | — | |
| Vinyl Ether SCHEMBL27514484 | 0.82 | — | — | |
| Vinyl Ether SCHEMBL406230 | 0.82 | — | — | |
| SCHEMBL2251688 | 0.76 | — | — | |
| SCHEMBL406235 | 0.75 | — | — | |
| SCHEMBL194318 | 0.74 | THRB (0.43) | — | |
| SCHEMBL787220 | 0.74 | THRB (0.43) | — | |
| SCHEMBL22470611 | 0.74 | THRB (0.43) | — | |
| SCHEMBL615411 | 0.74 | — | — | |
| Vinyl Ether SCHEMBL17133768 | 0.72 | TSHR (0.31) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9556172-B2 | Processes for the manufacture of propane-1-sulfonic acid (3-[5-(4-chloro-phenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluoro-phenyl)-amide | HOFFMAN LA-ROCHE INC. (US) | 2017-01-31 | — | — | US | disclosed |
| US-20160083378-A1 | NOVEL PROCESSES FOR THE MANUFACTURE OF PROPANE-1-SULFONIC ACID (3-[5-(4-CHLORO-PHENYL)-1H-PYRROLO[2,3-b]PYRIDINE-3-CARBONYL]-2,4-DIFLUORO-PHENYL)-AMIDE | HOFFMANN LA ROCHE (US) | 2016-03-24 | — | — | US | disclosed |
| US-9150594-B2 | Processes for the manufacture of propane-1-sulfonic acid {3-[5-(4-chloro-phenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluoro-phenyl}-amide | HOFFMANN-LA ROCHE INC. (US) | 2015-10-06 | — | — | US | disclosed |
| EP-2595958-B1 | NOVEL PROCESSES FOR THE MANUFACTURE OF PROPANE-1-SULFONIC ACID {3-[5-(4-CHLORO-PHENYL)-1H-PYRROLO[2,3-B]PYRIDINE-3-CARBONYL]-2,4-DIFLUORO-PHENYL}-AMIDE | HOFFMANN LA ROCHE (CH) | 2015-04-29 | — | — | EP | disclosed |
| US-20140288308-A1 | NOVEL PROCESSES FOR THE MANUFACTURE OF PROPANE-1-SULFONIC ACID -AMIDE | HOFFMANN LA ROCHE (US) | 2014-09-25 | — | — | US | disclosed |
| US-8779150-B2 | Processes for the manufacture of propane-1-sulfonic acid {3-[5-(4-chloro-phenyl)-1 H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluoro-phenyl}-amide | HOFFMANN-LA ROCHE INC. (US) | 2014-07-15 | — | — | US | disclosed |
| EP-2595958-A2 | NOVEL PROCESSES FOR THE MANUFACTURE OF PROPANE-1-SULFONIC ACID {3-[5-(4-CHLORO-PHENYL)-1H-PYRROLO[2,3-B]PYRIDINE-3-CARBONYL]-2,4-DIFLUORO-PHENYL}-AMIDE | F.HOFFMANN-LA ROCHE AG (CH) | 2013-05-29 | — | — | EP | disclosed |
| US-20120022258-A1 | Novel Processes for the manufacture of Propane-1-sulfonic acid -amide | F. HOFFMANN-LA ROCHE AG (CH) | 2012-01-26 | — | — | US | disclosed |
| WO-2012010538-A2 | NOVEL PROCESSES FOR THE MANUFACTURE OF PROPANE-1-SULFONIC ACID {3-[5-(4-CHLORO-PHENYL)-1H-PYRROLO[2,3-B]PYRIDINE-3-CARBONYL]-2,4-DIFLUORO-PHENYL}-AMIDE | F. HOFFMANN-LA ROCHE AG (CH) | 2012-01-26 | — | — | WO | disclosed |