⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11443918 | 0.69 | — | — | |
| SCHEMBL11556833 | 0.69 | — | — | |
| SCHEMBL11443917 | 0.67 | — | — | |
| SCHEMBL10887724 | 0.62 | — | — | |
| SCHEMBL9819063 | 0.60 | — | — | |
| Carbonotrithioic Acid SCHEMBL4901393 | 0.59 | — | — | |
| SCHEMBL11880302 | 0.57 | — | — | |
| SCHEMBL29287483 | 0.57 | — | — | |
| SCHEMBL1533290 | 0.57 | — | — | |
| Cyanamide SCHEMBL11181564 | 0.57 | — | — |
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-0508353-B1 | Process for the preparation of 4-amino-2-chloro-5-cyano-6-(methylthio)pyrimidine | LONZA AG (CH) | 1996-06-26 | — | — | EP | claimed |
| US-5216160-A | PROCESS FOR THE PRODUCTION OF 4-AMINO-2-CHLORO-5-CYANO-6-(METHYLTHIO)PYRIMIDINE | LONZA LTD. (CH) | 1993-06-01 | — | — | US | claimed |
| US-5216160-A | PROCESS FOR THE PRODUCTION OF 4-AMINO-2-CHLORO-5-CYANO-6-(METHYLTHIO)PYRIMIDINE | LONZA LTD. (CH) | 1993-06-01 | — | — | US | disclosed |