⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6935476 | 0.89 | SLC9A1 (0.47) | — | |
| SCHEMBL6932531 | 0.89 | — | — | |
| SCHEMBL7798529 | 0.88 | — | — | |
| SCHEMBL7798382 | 0.88 | — | — | |
| SCHEMBL6936108 | 0.88 | SLC9A1 (0.57) | — | |
| SCHEMBL6934420 | 0.85 | SLC6A2 (0.43) | — | |
| SCHEMBL27364824 | 0.85 | SLC6A2 (0.41) | — | |
| SCHEMBL6936965 | 0.83 | — | — | |
| SCHEMBL7798495 | 0.83 | — | — | |
| SCHEMBL6936931 | 0.83 | SLC9A1 (0.53) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0758644-B1 | Sulfonyl- or sulfinyl-benzoyl-guanidine derivatives | MERCK PATENT GMBH (DE) | 2003-10-15 | — | — | EP | disclosed |
| EP-0725062-B1 | 4-mercapto-benzoylguanidine derivatives | MERCK PATENT GMBH (DE) | 2001-06-13 | — | — | EP | disclosed |
| US-5744641-A | Sulfonyl- or sulfinylbenzoylguanidine derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-04-28 | — | — | US | disclosed |
| US-5696167-A | 4-mercaptobenzoylguanidine derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1997-12-09 | — | — | US | disclosed |
| EP-0758644-A1 | Sulfonyl- or sulfinyl-benzoyl-guanidine derivatives | MERCK PATENT GmbH (DE) | 1997-02-19 | — | — | EP | disclosed |
| EP-0725062-A1 | 4-mercapto-benzoylguanidine derivatives | MERCK PATENT GmbH (DE) | 1996-08-07 | — | — | EP | disclosed |