⚠ 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 SCHEMBL28874865 | 0.89 | — | — | |
| SCHEMBL128353 | 0.88 | GSTP1 (0.30) | — | |
| Methacrylic Acid SCHEMBL20699758 | 0.84 | — | — | |
| SCHEMBL29117613 | 0.83 | GSTP1 (0.33) | — | |
| Acrylic Acid Methyl Ester SCHEMBL28278802 | 0.78 | GSTP1 (0.35) | — | |
| SCHEMBL28216879 | 0.77 | — | — | |
| SCHEMBL28181130 | 0.74 | — | — | |
| SCHEMBL5833251 | 0.74 | HDAC4 (0.36) | — | |
| SCHEMBL3994898 | 0.74 | GSTP1 (0.36) | — | |
| SCHEMBL29404200 | 0.73 | THRB (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109804508-A | CONNECTION STRUCTURE, CIRCUIT CONNECTION MEMBER, AND ADHESIVE COMPOSITION | 日立化成株式会社 | 2019-05-24 | — | — | CN | disclosed |
| CN-105408362-B | Modified liquid diene series rubber and its manufacture method | 株式会社可乐丽 | 2017-05-31 | — | — | CN | disclosed |