⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5674151 | 0.75 | CYP1A2 (0.35) | — | |
| SCHEMBL10235622 | 0.74 | — | — | |
| SCHEMBL3595385 | 0.74 | CSNK1A1 (0.44) | — | |
| SCHEMBL16087947 | 0.72 | RPS6KA5 (0.34) | — | |
| SCHEMBL26616000 | 0.71 | GAA (0.36) | — | |
| SCHEMBL10362222 | 0.71 | KDM4E (0.30) | — | |
| SCHEMBL2896220 | 0.70 | CYP1A2 (0.39) | — | |
| SCHEMBL4277489 | 0.69 | KEAP1 (0.41) | — | |
| SCHEMBL10220792 | 0.68 | MAPT (0.42) | — | |
| SCHEMBL18701502 | 0.67 | NUDT1 (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2202228-B1 | AMIDE COMPOUNDS AND USE OF THE SAME | TAKEDA PHARMACEUTICAL (JP) | 2014-12-10 | — | — | EP | disclosed |
| US-8329691-B2 | Amide compounds and use of the same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-12-11 | — | — | US | disclosed |
| US-20100324010-A1 | AMIDE COMPOUNDS AND USE OF THE SAME | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-12-23 | — | — | US | disclosed |
| EP-2202228-A1 | AMIDE COMPOUNDS AND USE OF THE SAME | Takeda Pharmaceutical Company Limited (JP) | 2010-06-30 | — | — | EP | disclosed |