⚠ 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 | |
|---|---|---|---|---|
| Methacrylic Acid SCHEMBL5597048 | 0.81 | ALDH1A1 (0.34) | — | |
| Methacrylic Acid SCHEMBL22204657 | 0.81 | ALDH1A1 (0.34) | — | |
| SCHEMBL47782 | 0.79 | — | — | |
| SCHEMBL8917948 | 0.79 | — | — | |
| Acrylic Acid SCHEMBL23581832 | 0.76 | LMNA (0.34) | — | |
| SCHEMBL16708653 | 0.75 | ALDH1A1 (0.42) | — | |
| Oxirane SCHEMBL23581830 | 0.73 | LMNA (0.31) | — | |
| Butane SCHEMBL28612846 | 0.72 | PTPN1 (0.36) | — | |
| Glycerin SCHEMBL1695600 | 0.72 | ALDH1A1 (0.30) | — | |
| Methacrylic Acid SCHEMBL29407956 | 0.71 | ALDH1A1 (0.52) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019156228-A1 | 2-CYANOACRYLATE COMPOUND AND ADHESIVE COMPOSITION | 東亞合成株式会社 | 2019-08-15 | — | — | WO | disclosed |
| WO-2019156227-A1 | ADHESIVE COMPOSITION THAT EASILY DISINTEGRATES IN WATER | 東亞合成株式会社 | 2019-08-15 | — | — | WO | disclosed |