⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5686282 | 1.00 | — | — | |
| SCHEMBL14007675 | 0.77 | — | — | |
| SCHEMBL16848453 | 0.75 | — | — | |
| SCHEMBL16675110 | 0.75 | — | — | |
| SCHEMBL18815290 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL16848444 | 0.73 | — | — | |
| SCHEMBL18815288 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL18648261 | 0.71 | TRPA1 (0.33) | — | |
| SCHEMBL20156232 | 0.69 | — | — | |
| SCHEMBL18843065 | 0.69 | ALDH1A1 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1431316-B1 | The in situ polymerization of monoethylenically unsaturated monomers with oligomeric or polymeric secondary amines | BAYER MATERIALSCIENCE AG (DE) | 2006-03-22 | — | — | EP | disclosed |
| CN-1511852-A | In situ polymerization oligomerization or poly secondary amine monoene bond type unsaturated monomer | — | 2004-07-14 | — | — | CN | disclosed |
| US-20040122169-A1 | Situ polymerization of monoethylenically unsaturated monomers with oligomeric or polymeric secondary amines | BAYER AKTIENGESELLSCHAFT (DE) | 2004-06-24 | — | — | US | disclosed |
| EP-1431316-A1 | The in situ polymerization of monoethylenically unsaturated monomers with oligomeric or polymeric secondary amines | Bayer MaterialScience AG (DE) | 2004-06-23 | — | — | EP | disclosed |
| EP-1428837-A1 | The in situ polymerization of monoethylenically unsaturated monomers with oligomeric or polymeric secondary amines | Bayer MaterialScience AG (DE) | 2004-06-16 | — | — | EP | disclosed |