⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3630257 | 0.78 | — | — | |
| SCHEMBL16328228 | 0.78 | — | — | |
| SCHEMBL9276499 | 0.72 | — | — | |
| SCHEMBL73502 | 0.72 | — | — | |
| SCHEMBL73933 | 0.67 | — | — | |
| SCHEMBL19127368 | 0.67 | ENPP2 (0.33) | — | |
| SCHEMBL2872675 | 0.67 | — | — | |
| SCHEMBL3082762 | 0.65 | NPC1 (0.42) | — | |
| SCHEMBL2106503 | 0.65 | — | — | |
| Potassium SCHEMBL29550261 | 0.65 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090253687-A1 | Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-10-08 | — | — | US | disclosed |