⚠ 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 | |
|---|---|---|---|---|
| Alloxan SCHEMBL64547 | 0.56 | MAPT (1.00) | — | |
| SCHEMBL3626475 | 0.56 | — | — | |
| Alloxan SCHEMBL17364338 | 0.54 | KDM4E (0.92) | — | |
| SCHEMBL2489548 | 0.54 | — | — | |
| SCHEMBL625895 | 0.54 | — | — | |
| Alloxan SCHEMBL20262969 | 0.54 | KDM4E (0.92) | — | |
| Alloxan SCHEMBL9093366 | 0.54 | KDM4E (0.92) | — | |
| Alloxan SCHEMBL8924365 | 0.54 | KDM4E (0.92) | — | |
| SCHEMBL8723031 | 0.52 | — | — | |
| SCHEMBL12433546 | 0.50 | KDM4E (0.40) | — |
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-1953148-B1 | HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2012-02-29 | — | — | EP | disclosed |
| US-7915267-B2 | Heterocyclic amide compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-03-29 | — | — | US | disclosed |
| US-20090137603-A1 | HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-05-28 | — | — | US | disclosed |
| EP-1953148-A1 | HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2008-08-06 | — | — | EP | disclosed |