⚠ 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 SCHEMBL2397358 | 0.94 | — | — | |
| Acrylic Acid SCHEMBL6836710 | 0.93 | — | — | |
| Methacrylic Acid SCHEMBL6838727 | 0.87 | — | — | |
| Maleic Acid SCHEMBL11207600 | 0.83 | — | — | |
| Methacrylic Acid SCHEMBL6836857 | 0.81 | — | — | |
| Acrylic Acid SCHEMBL6832817 | 0.79 | — | — | |
| SCHEMBL15299913 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL6836707 | 0.76 | TSHR (0.31) | — | |
| Methacrylic Acid SCHEMBL6836744 | 0.73 | — | — | |
| SCHEMBL31337033 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6759104-B2 | LIQUID CRYSTALS DISPLAY; MIXTURE CONTAINING ACRYLATED ESTERS; PHOTOPOLYMERIZATION USING FREE RADICAL CATALYSTS | MITSUBISHI CHEMICAL CORPORATION (JP) | 2004-07-06 | — | — | US | disclosed |