⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1830754 | 0.84 | — | — | |
| SCHEMBL1833274 | 0.83 | — | — | |
| SCHEMBL1581033 | 0.82 | ALDH1A1 (0.31) | — | |
| Fumaric Acid SCHEMBL2409284 | 0.82 | — | — | |
| Fumaric Acid SCHEMBL2409287 | 0.82 | — | — | |
| SCHEMBL1832008 | 0.81 | — | — | |
| SCHEMBL1834846 | 0.81 | NAMPT (0.31) | — | |
| SCHEMBL2408209 | 0.80 | EIF2AK3 (0.32) | — | |
| SCHEMBL1834057 | 0.80 | NAMPT (0.32) | — | |
| SCHEMBL5006275 | 0.78 | CCR9 (0.35) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2114917-B1 | PYRROLE COMPOUNDS | TAKEDA PHARMACEUTICAL (JP) | 2016-08-10 | — | — | EP | disclosed |
| US-8933105-B2 | Pyrrole compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-01-13 | — | — | US | disclosed |
| EP-2364979-A1 | Pyrrole compounds | Takeda Pharmaceutical Company Limited (JP) | 2011-09-14 | — | — | EP | disclosed |
| EP-2114917-A2 | PYRROLE COMPOUNDS | Takeda Pharmaceutical Company Limited (JP) | 2009-11-11 | — | — | EP | disclosed |
| US-20080262042-A1 | 1-[5-(2-Fluoropyridin-3-yl)-1-(phenylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine or a salt thereof; acid secretion inhibitor; potassium-competitive acid blocker | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-10-23 | — | — | US | disclosed |
| WO-2008108380-A2 | PYRROLE COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-09-12 | — | — | WO | disclosed |