⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28060733 | 0.86 | TDP1 (0.32) | — | |
| Acrylamide SCHEMBL3892742 | 0.85 | TSHR (0.41) | — | |
| Acrylamide SCHEMBL28060737 | 0.80 | — | — | |
| SCHEMBL170288 | 0.72 | TSHR (0.50) | — | |
| Acrylamide SCHEMBL4970585 | 0.70 | TSHR (0.46) | — | |
| Propionamide SCHEMBL27471373 | 0.68 | CHRNB2 (0.36) | — | |
| Propionic Acid SCHEMBL27407991 | 0.68 | FFAR3 (0.53) | — | |
| Acrylamide SCHEMBL28154703 | 0.68 | ALDH1A1 (0.42) | — | |
| Acrylamide SCHEMBL3636541 | 0.67 | TSHR (0.50) | — | |
| Propylamine SCHEMBL27662088 | 0.67 | GABRR1 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102712825-B | Coating agent and coated article | INNOVATIVE SURFACE TECHNOLOGIES, INC. (US) | 2016-03-16 | — | — | CN | disclosed |