⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22127287 | 0.80 | — | — | |
| SCHEMBL16821946 | 0.76 | — | — | |
| Ethylene Glycol SCHEMBL11598890 | 0.75 | TSHR (0.34) | — | |
| SCHEMBL30475161 | 0.75 | SMN1; SMN2 (0.34) | — | |
| 1,4-Butanediol SCHEMBL11598479 | 0.73 | TSHR (0.33) | — | |
| Acrylic Acid SCHEMBL30488444 | 0.70 | MMP3 (0.35) | — | |
| SCHEMBL2400356 | 0.69 | — | — | |
| SCHEMBL8943306 | 0.69 | — | — | |
| SCHEMBL11599480 | 0.68 | TSHR (0.31) | — | |
| SCHEMBL29221041 | 0.68 | — | — |
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-0564917-B1 | Light-curable elastomeric mixture and recording material for flexographic printing plates obtained therefrom | AGFA GEVAERT AG (DE) | 1999-07-28 | — | — | EP | disclosed |