⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5750505 | 1.00 | — | — | |
| SCHEMBL196713 | 0.87 | — | — | |
| SCHEMBL6556969 | 0.84 | — | — | |
| SCHEMBL28850967 | 0.74 | — | — | |
| SCHEMBL28850965 | 0.74 | — | — | |
| SCHEMBL7558453 | 0.73 | — | — | |
| SCHEMBL7560829 | 0.73 | — | — | |
| SCHEMBL1956609 | 0.73 | — | — | |
| SCHEMBL5748091 | 0.71 | — | — | |
| SCHEMBL5748082 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1180095-B1 | 4-CYANO-3-HYDROXY BUTANOYL HYDRAZINES, DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF | UNIV MICHIGAN STATE (US) | 2006-08-30 | — | — | EP | claimed |