⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17888613 | 0.87 | EPHX2 (0.36) | — | |
| SCHEMBL762947 | 0.82 | — | — | |
| SCHEMBL10672943 | 0.81 | — | — | |
| SCHEMBL29951544 | 0.79 | — | — | |
| SCHEMBL11702759 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL13716466 | 0.76 | — | — | |
| SCHEMBL7362133 | 0.76 | — | — | |
| SCHEMBL3933914 | 0.74 | — | — | |
| SCHEMBL472084 | 0.74 | EPHX2 (0.44) | — | |
| SCHEMBL14529697 | 0.73 | ALDH1A1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1991003449-A1 | ISOMERIZATION OF ALK-2-ENYL ETHERS | GAF CHEMICALS CORPORATION (US) | 1991-03-21 | — | — | WO | disclosed |