⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12944909 | 0.78 | — | — | |
| SCHEMBL4345550 | 0.77 | — | — | |
| SCHEMBL3055210 | 0.77 | TSHR (0.59) | — | |
| SCHEMBL27497757 | 0.77 | — | — | |
| Acrylamide SCHEMBL9129476 | 0.75 | TSHR (0.55) | — | |
| SCHEMBL28287655 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL6401327 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL8528459 | 0.73 | TSHR (0.39) | — | |
| SCHEMBL4811397 | 0.72 | — | — | |
| SCHEMBL290398 | 0.71 | — | — |
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-0751119-A1 | A process for preparing acryloyl carbamates or ureas | DAINIPPON INK AND CHEMICALS, INC. (JP) | 1997-01-02 | — | — | EP | disclosed |