⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13863 | 0.70 | — | — | |
| SCHEMBL12262030 | 0.70 | — | — | |
| SCHEMBL16544555 | 0.70 | — | — | |
| SCHEMBL31087585 | 0.68 | — | — | |
| SCHEMBL1094924 | 0.68 | — | — | |
| SCHEMBL4252273 | 0.67 | — | — | |
| SCHEMBL11085764 | 0.67 | — | — | |
| SCHEMBL10538971 | 0.65 | — | — | |
| SCHEMBL1666672 | 0.65 | — | — | |
| SCHEMBL13779843 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4345075-A | 4-Amino-6-(2'-carboxyethyl)-3-methylthio-1,2,4-triazin-5(4H)-one | WILEY RICHARD H | 1982-08-17 | — | — | US | disclosed |