⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8443401 | 0.88 | — | — | |
| SCHEMBL8443027 | 0.87 | — | — | |
| SCHEMBL8438751 | 0.87 | SLC9A1 (0.58) | — | |
| SCHEMBL8439753 | 0.85 | ALDH1A1 (0.49) | — | |
| SCHEMBL8441104 | 0.84 | — | — | |
| SCHEMBL8441927 | 0.82 | SLC9A1 (0.51) | — | |
| SCHEMBL8441923 | 0.82 | — | — | |
| SCHEMBL8441329 | 0.81 | — | — | |
| SCHEMBL8443082 | 0.81 | SLC9A1 (0.52) | — | |
| SCHEMBL8439384 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0708088-B1 | Alkyl-5-methylsulphonyl-benzoyl-guanidine derivatives | MERCK PATENT GMBH (DE) | 1999-03-24 | — | — | EP | disclosed |
| US-5700839-A | ANTIARRYTHMIA AGENTS; ACT AS INHIBITORS OF THE CELLULAR NA+/H+ ANTIPORTER | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1997-12-23 | — | — | US | disclosed |
| EP-0708088-A1 | Alkyl-5-methylsulphonyl-benzoyl-guanidine derivatives | MERCK PATENT GmbH (DE) | 1996-04-24 | — | — | EP | disclosed |