⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8529845 | 0.95 | — | — | |
| SCHEMBL8530889 | 0.86 | SLC9A1 (0.43) | — | |
| SCHEMBL8528627 | 0.85 | SLC9A1 (0.39) | — | |
| SCHEMBL8581952 | 0.85 | SLC9A1 (0.42) | — | |
| SCHEMBL8530789 | 0.85 | SLC9A1 (0.39) | — | |
| SCHEMBL8530984 | 0.85 | SLC9A1 (0.39) | — | |
| SCHEMBL8529754 | 0.83 | SLC9A1 (0.39) | — | |
| SCHEMBL8533802 | 0.83 | SLC9A1 (0.42) | — | |
| SCHEMBL8582514 | 0.82 | SLC9A1 (0.37) | — | |
| SCHEMBL8583112 | 0.82 | SLC9A1 (0.41) | — |
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-5840761-A | Alkylbenzoylguanidine derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-11-24 | — | — | US | disclosed |
| EP-0699663-B1 | Alkyl-benzoylguanidine derivatives | MERCK PATENT GMBH (DE) | 1998-11-04 | — | — | EP | disclosed |
| EP-0699663-A1 | Alkyl-benzoylguanidine derivatives | MERCK PATENT GmbH (DE) | 1996-03-06 | — | — | EP | disclosed |