⚠ 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 | |
|---|---|---|---|---|
| Acrylic Acid Methyl Ester SCHEMBL27478060 | 0.84 | TSHR (0.35) | — | |
| SCHEMBL17292667 | 0.82 | MEN1 (0.30) | — | |
| Acrylic Acid Methyl Ester SCHEMBL28091160 | 0.82 | TSHR (0.33) | — | |
| Methacrylic Acid SCHEMBL27568069 | 0.82 | ALDH1A1 (0.31) | — | |
| SCHEMBL16679741 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL29390794 | 0.74 | TSHR (0.33) | — | |
| Acrylic Acid Methyl Ester SCHEMBL28278802 | 0.74 | GSTP1 (0.35) | — | |
| Acrylic Acid SCHEMBL8676132 | 0.74 | TSHR (0.38) | — | |
| SCHEMBL300908 | 0.73 | TET2 (0.34) | — | |
| SCHEMBL128997 | 0.72 | TSHR (0.44) | — |
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-105824191-A | Photo-curable coloring composition, solidification object and article | 日本化药株式会社 | 2016-08-03 | — | — | CN | disclosed |