⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15465474 | 0.74 | LMNA (0.33) | — | |
| SCHEMBL26599464 | 0.73 | CA1 (0.33) | — | |
| SCHEMBL6830674 | 0.71 | RELA (0.33) | — | |
| SCHEMBL15226205 | 0.70 | CETP (0.38) | — | |
| SCHEMBL28254281 | 0.70 | EPHX1 (0.34) | — | |
| Potassium SCHEMBL31194877 | 0.69 | CA1 (0.33) | — | |
| SCHEMBL1024523 | 0.69 | CA1 (0.33) | — | |
| SCHEMBL6827393 | 0.68 | CA1 (0.46) | — | |
| SCHEMBL7103606 | 0.68 | RELA (0.32) | — | |
| SCHEMBL15464395 | 0.67 | L3MBTL1 (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2382218-A1 | DELTA-5-DESATURASE INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2011-11-02 | — | — | EP | disclosed |
| WO-2010087467-A1 | DELTA-5-DESATURASE INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-08-05 | — | — | WO | disclosed |
| US-20100190747-A1 | Fused ring compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-07-29 | — | — | US | disclosed |