⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6201000 | 0.76 | GSK3B (0.41) | — | |
| SCHEMBL6959742 | 0.73 | DAO (0.39) | — | |
| SCHEMBL27366814 | 0.71 | DAO (0.38) | — | |
| SCHEMBL6964660 | 0.68 | — | — | |
| SCHEMBL5046977 | 0.66 | GPR35 (0.33) | — | |
| SCHEMBL9158487 | 0.66 | DAO (0.34) | — | |
| SCHEMBL8508407 | 0.66 | DAO (0.35) | — | |
| SCHEMBL5202302 | 0.63 | SLC9A1 (0.48) | — | |
| SCHEMBL6970016 | 0.62 | ALDH1A1 (0.41) | — | |
| SCHEMBL5163126 | 0.62 | LMNA (0.50) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0676395-B1 | Substituted N-heteroaroylguanidines, as inhibitors of sodium-hydrogen exchange, as antiarrhythmic agents and as inhibitors of the proliferation of cells | HOECHST AG (DE) | 2003-09-03 | — | — | EP | disclosed |
| EP-0676395-A2 | Substituted N-heteroaroylguanidines, as inhibitors of sodium-hydrogen exchange, as antiarrhythmic agents and as inhibitors of the proliferation of cells | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-10-11 | — | — | EP | disclosed |