⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11063375 | 0.85 | — | — | |
| SCHEMBL11062122 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL11063833 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL10952518 | 0.72 | ALDH1A1 (0.36) | — | |
| SCHEMBL2265552 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL10952511 | 0.72 | ALDH1A1 (0.52) | — | |
| SCHEMBL9452595 | 0.72 | TSHR (0.44) | — | |
| SCHEMBL11069008 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL14733079 | 0.69 | LMNA (0.33) | — | |
| SCHEMBL7454501 | 0.67 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4426540-A | Synthesis of vinyl ethers | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) | 1984-01-17 | — | — | US | claimed |