⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7835986 | 0.99 | — | — | |
| SCHEMBL7823576 | 0.88 | SLC9A1 (0.63) | — | |
| SCHEMBL7832445 | 0.88 | SLC9A1 (0.50) | — | |
| SCHEMBL7833349 | 0.88 | SLC9A1 (0.50) | — | |
| Hydrochloric Acid SCHEMBL7825457 | 0.87 | SLC9A1 (0.61) | — | |
| SCHEMBL7838637 | 0.86 | SLC9A1 (0.51) | — | |
| SCHEMBL7835065 | 0.85 | SLC9A1 (0.48) | — | |
| SCHEMBL7835690 | 0.84 | SLC9A1 (0.47) | — | |
| SCHEMBL7836974 | 0.84 | SLC9A1 (0.48) | — | |
| Hydrochloric Acid SCHEMBL7836893 | 0.84 | SLC9A1 (0.47) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0667341-B1 | 4-Amino-1-piperidylbenzoylguanidines as Na+/H+ antiporter inhibitors | MERCK PATENT GMBH (DE) | 2001-08-29 | — | — | EP | claimed |
| EP-0667341-B1 | 4-Amino-1-piperidylbenzoylguanidines as Na+/H+ antiporter inhibitors | MERCK PATENT GMBH (DE) | 2001-08-29 | — | — | EP | disclosed |
| US-5753680-A | Heterocyclyl-benzoylguanidines | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-05-19 | — | — | US | disclosed |
| EP-0699666-A1 | Heterocyclic substituted benzoylguanidine | MERCK PATENT GmbH (DE) | 1996-03-06 | — | — | EP | disclosed |