⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL653913 | 0.71 | — | — | |
| SCHEMBL136057 | 0.71 | — | — | |
| SCHEMBL30170514 | 0.71 | — | — | |
| SCHEMBL131183 | 0.71 | — | — | |
| SCHEMBL31628340 | 0.71 | — | — | |
| SCHEMBL9227929 | 0.58 | — | — | |
| SCHEMBL2034520 | 0.58 | — | — | |
| SCHEMBL306225 | 0.58 | — | — | |
| SCHEMBL6688448 | 0.58 | — | — | |
| SCHEMBL2589321 | 0.58 | — | — |
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-0102688-A1 | Catalysts, their preparation and use in vapour phase oxidation of unsaturated aldehydes | ROHM AND HAAS COMPANY (US) | 1984-03-14 | — | — | EP | disclosed |