⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23327106 | 0.75 | — | — | |
| SCHEMBL861673 | 0.75 | — | — | |
| SCHEMBL2052963 | 0.75 | — | — | |
| SCHEMBL5969554 | 0.75 | TSHR (0.46) | — | |
| SCHEMBL37468 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL2754173 | 0.72 | — | — | |
| SCHEMBL1991500 | 0.71 | TSHR (0.38) | — | |
| SCHEMBL5666870 | 0.70 | — | — | |
| SCHEMBL2531231 | 0.69 | — | — | |
| SCHEMBL14845193 | 0.69 | TSHR (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2005343866-A | 1-SUBSTITUTED-1-AMINOGUANIDINE OR ITS SALT, AND METHOD FOR PRODUCING THE SAME | JAPAN FINECHEM CO INC | 2005-12-15 | — | — | JP | disclosed |
| US-5274162-A | Antineoplastic drugs with bipolar toxification/detoxification functionalities | GLAZIER ARNOLD (US) | 1993-12-28 | — | — | US | disclosed |