⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23699530 | 0.77 | — | — | |
| SCHEMBL755034 | 0.74 | — | — | |
| SCHEMBL414404 | 0.74 | — | — | |
| SCHEMBL29628503 | 0.74 | — | — | |
| Potassium SCHEMBL9426450 | 0.72 | ALDH1A1 (0.46) | — | |
| SCHEMBL9426445 | 0.72 | ALDH1A1 (0.46) | — | |
| SCHEMBL1119447 | 0.72 | IDO1 (0.41) | — | |
| SCHEMBL3293266 | 0.70 | — | — | |
| SCHEMBL16956974 | 0.70 | — | — | |
| SCHEMBL12671766 | 0.70 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1971596-A2 | FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS | Takeda Pharmaceutical Company Limited (JP) | 2008-09-24 | — | — | EP | disclosed |
| WO-2007077961-A2 | FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-07-12 | — | — | WO | disclosed |