⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL317377 | 0.69 | — | — | |
| SCHEMBL100765 | 0.67 | HPGDS (0.46) | — | |
| SCHEMBL5199627 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL23243009 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL9425516 | 0.67 | — | — | |
| SCHEMBL446446 | 0.65 | — | — | |
| SCHEMBL1047665 | 0.65 | — | — | |
| Benzene SCHEMBL28179804 | 0.65 | HSP90AA1 (0.36) | — | |
| SCHEMBL28749115 | 0.63 | — | — | |
| SCHEMBL28593090 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090253687-A1 | Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-10-08 | — | — | US | disclosed |
| 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 |