⚠ 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 SCHEMBL9716822 | 0.97 | — | — | |
| SCHEMBL8020149 | 0.80 | — | — | |
| SCHEMBL1724780 | 0.74 | — | — | |
| SCHEMBL16427817 | 0.71 | — | — | |
| SCHEMBL30496482 | 0.71 | — | — | |
| SCHEMBL31457449 | 0.69 | — | — | |
| SCHEMBL2518913 | 0.69 | — | — | |
| Iodide SCHEMBL23534008 | 0.67 | — | — | |
| Iodide SCHEMBL11865070 | 0.67 | — | — | |
| SCHEMBL20819090 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5128122-A | Nitrogen compound | THE ROCKEFELLER UNIVERSITY (US) | 1992-07-07 | — | — | US | disclosed |
| US-5096703-A | Administering aminoguanidine or its salts; oral rinse, tooth paste | THE ROCKEFELLER UNIVERSITY (US) | 1992-03-17 | — | — | US | disclosed |
| US-4978684-A | ADMINISTERING AMINOGUANIDINE DERIVATIVE | THE ROCKEFELLER UNIVERSITY (US) | 1990-12-18 | — | — | US | disclosed |