⚠ 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 | |
|---|---|---|---|---|
| Allylamine SCHEMBL175714 | 0.78 | — | — | |
| Allyl Alcohol SCHEMBL28340298 | 0.78 | — | — | |
| SCHEMBL1101294 | 0.75 | — | — | |
| Carbamic Acid SCHEMBL31214603 | 0.75 | — | — | |
| Carbamic Acid SCHEMBL8590456 | 0.75 | — | — | |
| Allylamine SCHEMBL17868863 | 0.75 | — | — | |
| Carbamic Acid SCHEMBL28133607 | 0.75 | — | — | |
| Carbamic Acid SCHEMBL28218660 | 0.72 | — | — | |
| Carbamic Acid SCHEMBL1422615 | 0.72 | — | — | |
| Butadiene SCHEMBL27973106 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7041849-B2 | Method of recovering polymerization inhibitor and method of producing acrylic acid | MITSUBISHI CHEMICAL CORPORATION (JP) | 2006-05-09 | — | — | US | disclosed |
| US-20040210085-A1 | Method of recovering polymerization inhibitor and method of producing acrylic acid | MITSUBISHI CHEMICAL CORPORATION (JP) | 2004-10-21 | — | — | US | disclosed |