⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2410380 | 0.88 | HCAR2 (0.34) | — | |
| SCHEMBL2410308 | 0.86 | GRM4 (0.32) | — | |
| SCHEMBL2412826 | 0.86 | HCAR2 (0.32) | — | |
| SCHEMBL1278208 | 0.85 | KAT5 (0.32) | — | |
| SCHEMBL2413149 | 0.84 | MET (0.36) | — | |
| SCHEMBL2413001 | 0.84 | — | — | |
| SCHEMBL2410504 | 0.84 | — | — | |
| SCHEMBL2412359 | 0.83 | MET (0.40) | — | |
| SCHEMBL2409114 | 0.83 | LMNA (0.35) | — | |
| Fumaric Acid SCHEMBL2409965 | 0.80 | GSK3B (0.32) | — |
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 |