⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8069692 | 0.82 | FAAH (0.39) | — | |
| SCHEMBL8069696 | 0.82 | FAAH (0.39) | — | |
| SCHEMBL892041 | 0.79 | — | — | |
| SCHEMBL10044228 | 0.79 | — | — | |
| SCHEMBL3315434 | 0.79 | — | — | |
| SCHEMBL892040 | 0.79 | — | — | |
| Ethylene Glycol SCHEMBL7749422 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL20124841 | 0.78 | — | — | |
| SCHEMBL17239050 | 0.78 | — | — | |
| SCHEMBL1476513 | 0.77 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0494946-A4 | ALK-1-ENYL ETHERS | — | 1993-09-22 | — | — | EP | disclosed |
| EP-0494946-A1 | ALK-1-ENYL ETHERS | ISP INVESTMENTS INC (US) | 1992-07-22 | — | — | EP | disclosed |
| WO-1991004957-A1 | ALK-1-ENYL ETHERS | GAF CHEMICALS CORPORATION (US) | 1991-04-18 | — | — | WO | disclosed |