⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7765594 | 0.89 | — | — | |
| SCHEMBL7764091 | 0.88 | SLC9A1 (0.48) | — | |
| SCHEMBL7765627 | 0.88 | SLC9A1 (0.44) | — | |
| SCHEMBL7764005 | 0.88 | SLC9A1 (0.57) | — | |
| SCHEMBL7768696 | 0.86 | PDE4B (0.44) | — | |
| SCHEMBL7764083 | 0.85 | YAP1 (0.43) | — | |
| SCHEMBL7766539 | 0.85 | PDE4B (0.42) | — | |
| SCHEMBL8633209 | 0.85 | MEN1 (0.43) | — | |
| SCHEMBL7764040 | 0.83 | — | — | |
| SCHEMBL7765590 | 0.83 | — | — |
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-0723963-B1 | 4-amino-benzoylguanidine derivatives | MERCK PATENT GMBH (DE) | 2001-06-13 | — | — | EP | disclosed |
| US-5739142-A | 4-aminobenzoylguanidine derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-04-14 | — | — | US | disclosed |
| EP-0723963-A1 | 4-amino-benzoylguanidine derivatives | MERCK PATENT GmbH (DE) | 1996-07-31 | — | — | EP | disclosed |