⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1834846 | 0.90 | NAMPT (0.31) | — | |
| SCHEMBL1833274 | 0.89 | — | — | |
| SCHEMBL1832008 | 0.87 | — | — | |
| SCHEMBL1581033 | 0.87 | ALDH1A1 (0.31) | — | |
| SCHEMBL1834057 | 0.86 | NAMPT (0.32) | — | |
| SCHEMBL2408209 | 0.84 | EIF2AK3 (0.32) | — | |
| SCHEMBL2409286 | 0.84 | — | — | |
| SCHEMBL2413822 | 0.82 | HCAR2 (0.31) | — | |
| SCHEMBL2411855 | 0.82 | ALDH1A1 (0.31) | — | |
| SCHEMBL5006275 | 0.81 | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8993598-B2 | Pyrrole compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-03-31 | — | — | US | disclosed |
| US-8969387-B2 | Pyrrole compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-03-03 | — | — | US | disclosed |
| US-20140031393-A1 | PYRROLE COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2014-01-30 | — | — | US | disclosed |
| US-8592597-B2 | Pyrrole compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-11-26 | — | — | US | disclosed |
| EP-2318390-B1 | PYRROLE COMPOUNDS | TAKEDA PHARMACEUTICAL (JP) | 2013-05-01 | — | — | EP | disclosed |
| US-20110172275-A1 | PYRROLE COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-07-14 | — | — | US | disclosed |
| EP-2318390-A1 | PYRROLE COMPOUNDS | Takeda Pharmaceutical Company Limited (JP) | 2011-05-11 | — | — | EP | disclosed |
| WO-2010024451-A1 | PYRROLE COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-03-04 | — | — | WO | disclosed |
| US-20100056577-A1 | PYRROLE COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-03-04 | — | — | US | disclosed |