⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1850221 | 0.83 | CYP2A6 (0.33) | — | |
| SCHEMBL1848929 | 0.72 | KDM4E (0.40) | — | |
| SCHEMBL12095360 | 0.69 | CYP2A6 (0.33) | — | |
| SCHEMBL1849107 | 0.68 | HDAC3 (0.46) | — | |
| SCHEMBL1853420 | 0.68 | DAO (0.46) | — | |
| SCHEMBL1851435 | 0.65 | HSD17B10 (0.48) | — | |
| SCHEMBL14911877 | 0.63 | TAAR1 (0.36) | — | |
| SCHEMBL29395269 | 0.63 | TAAR1 (0.36) | — | |
| SCHEMBL1850736 | 0.62 | CHRNA7 (0.38) | — | |
| SCHEMBL30028812 | 0.62 | — | — |
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-2323978-A1 | AMIDE COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2011-05-25 | — | — | EP | disclosed |
| WO-2010018874-A1 | AMIDE COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-02-18 | — | — | WO | disclosed |
| US-20100041891-A1 | AMIDE COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-02-18 | — | — | US | disclosed |