⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL58122 | 0.93 | — | — | |
| SCHEMBL28251853 | 0.91 | — | — | |
| Cyanate SCHEMBL28848852 | 0.83 | — | — | |
| SCHEMBL28786176 | 0.80 | ALDH1A1 (0.45) | — | |
| SCHEMBL7768426 | 0.80 | — | — | |
| SCHEMBL8616101 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL4912979 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL28262447 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL28044253 | 0.73 | — | — | |
| SCHEMBL27476605 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230356508-A1 | FLEXIBILIZED POLYURETHANES FOR FLEXIBLE PACKAGING ADHESIVE WITHOUT AROMATIC AMINE MIGRATION | COVESTRO LLC | 2023-11-09 | — | — | US | disclosed |
| EP-1171663-A1 | TREATMENT AGENTS FOR TEXTILES, METHOD OF PRODUCING SAME AND THEIR USE | Bayer Aktiengesellschaft (DE) | 2002-01-16 | — | — | EP | disclosed |
| WO-2000058547-A1 | TREATMENT AGENTS FOR TEXTILES, METHOD OF PRODUCING SAME AND THEIR USE | BAYER AKTIENGESELLSCHAFT (DE) | 2000-10-05 | — | — | WO | disclosed |