⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8056435 | 1.00 | — | — | |
| SCHEMBL8056459 | 0.84 | — | — | |
| SCHEMBL8057118 | 0.79 | HSD17B10 (0.34) | — | |
| SCHEMBL8045100 | 0.74 | — | — | |
| SCHEMBL8045095 | 0.74 | — | — | |
| SCHEMBL8063049 | 0.73 | — | — | |
| SCHEMBL8056469 | 0.73 | — | — | |
| SCHEMBL8060731 | 0.73 | — | — | |
| SCHEMBL8057379 | 0.72 | — | — | |
| SCHEMBL8060758 | 0.72 | — | — |
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-6028069-A | Heterocyclyl-condensed benzoylguanidines, their production and use as inhibitors of the cellular Na+/H+-antiporter | MERCK PATENT GESELLSCHAFT MIT BERSCHRANKER HAFTUNG (DE) | 2000-02-22 | — | — | US | disclosed |