⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4233131 | 0.94 | — | — | |
| SCHEMBL17245049 | 0.72 | — | — | |
| SCHEMBL3943544 | 0.69 | — | — | |
| SCHEMBL10723117 | 0.69 | — | — | |
| SCHEMBL18094441 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL78369 | 0.68 | — | — | |
| SCHEMBL1845097 | 0.68 | — | — | |
| SCHEMBL49322 | 0.67 | NPC1 (0.40) | — | |
| SCHEMBL3942984 | 0.67 | NPC1 (0.40) | — | |
| SCHEMBL1587660 | 0.66 | — | — |
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 |