⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11022700 | 0.88 | MAPT (0.33) | — | |
| Hydrochloric Acid SCHEMBL11020774 | 0.86 | MAPT (0.32) | — | |
| SCHEMBL11164637 | 0.81 | — | — | |
| SCHEMBL11023223 | 0.79 | CYP2D6 (0.34) | — | |
| SCHEMBL11018763 | 0.79 | MAPT (0.41) | — | |
| Hydrochloric Acid SCHEMBL11024851 | 0.78 | LMNA (0.32) | — | |
| Hydrochloric Acid SCHEMBL11022836 | 0.78 | MAPT (0.40) | — | |
| Hydrochloric Acid SCHEMBL11023270 | 0.78 | — | — | |
| SCHEMBL4264509 | 0.73 | HTT (0.38) | — | |
| SCHEMBL9503805 | 0.71 | — | — |
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-0062439-B1 | GUANIDINOPYRIMIDINES | SMITHKLINE BECKMAN CORPORATION (US) | 1985-03-20 | — | — | EP | disclosed |
| EP-0062439-A1 | Guanidinopyrimidines | SMITHKLINE BECKMAN CORPORATION (US) | 1982-10-13 | — | — | EP | disclosed |
| US-4336254-A | Guanidinopyrimidine compounds, compositions and method of using as a diuretic | SMITHKLINE CORPORATION (US) | 1982-06-22 | — | — | US | disclosed |