⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL973094 | 0.83 | USP2 (0.39) | — | |
| SCHEMBL247430 | 0.78 | — | — | |
| SCHEMBL15529727 | 0.75 | USP2 (0.50) | — | |
| SCHEMBL13173432 | 0.74 | CA2 (0.33) | — | |
| SCHEMBL597380 | 0.72 | — | — | |
| SCHEMBL14647514 | 0.72 | CA2 (0.36) | — | |
| SCHEMBL13567776 | 0.72 | CA2 (0.32) | — | |
| SCHEMBL15529918 | 0.70 | CA2 (0.50) | — | |
| SCHEMBL29391025 | 0.70 | CA2 (0.31) | — | |
| SCHEMBL27052923 | 0.70 | PIK3CD (0.32) | — |
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-1987037-A2 | FUSED HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2008-11-05 | — | — | EP | disclosed |
| WO-2007097470-A2 | FUSED NITROGEN- COMPRISING HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-08-30 | — | — | WO | disclosed |
| WO-2005020987-A1 | HETEROCYCLIC AMIDE DERIVATIVES WHICH POSSES GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY | ASTRAZENECA AB (SE) | 2005-03-10 | — | — | WO | disclosed |