⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18721158 | 0.74 | — | — | |
| SCHEMBL19387752 | 0.74 | — | — | |
| SCHEMBL13857930 | 0.69 | — | — | |
| SCHEMBL25851312 | 0.69 | — | — | |
| SCHEMBL965094 | 0.69 | — | — | |
| SCHEMBL18531888 | 0.69 | — | — | |
| SCHEMBL293363 | 0.69 | — | — | |
| SCHEMBL13637530 | 0.69 | — | — | |
| SCHEMBL17131097 | 0.69 | — | — | |
| SCHEMBL159078 | 0.69 | — | — |
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-0018473-B1 | PROCESS FOR THE PREPARATION OF BETA-ALKOXY-ACRYLONITRILES, 3-AMINO-ACRYLONITRILES AND 2-CYANO-VINYL ESTERS | HÜLS TROISDORF AKTIENGESELLSCHAFT (DE) | 1982-12-29 | — | — | EP | disclosed |