⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1155707 | 0.93 | — | — | |
| SCHEMBL515572 | 0.93 | — | — | |
| Acetic Acid SCHEMBL28922705 | 0.89 | — | — | |
| Acrylamide SCHEMBL28259158 | 0.88 | ALDH1A1 (0.35) | — | |
| Acrylic Acid Methyl Ester SCHEMBL28232710 | 0.85 | TSHR (0.32) | — | |
| SCHEMBL28095163 | 0.82 | — | — | |
| SCHEMBL6050205 | 0.82 | — | — | |
| SCHEMBL28866553 | 0.81 | TSHR (0.51) | — | |
| SCHEMBL27489862 | 0.81 | — | — | |
| SCHEMBL1439035 | 0.81 | GLO1 (0.30) | — |
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-105829104-B | Laminated polyester film | 东丽株式会社 | 2018-05-11 | — | — | CN | disclosed |