⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL179855 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL29759243 | 0.81 | — | — | |
| SCHEMBL22734360 | 0.81 | — | — | |
| Bromide SCHEMBL28140703 | 0.81 | — | — | |
| Glutaral SCHEMBL28003014 | 0.73 | HIF1A (0.62) | — | |
| Trimethylammonium SCHEMBL27959014 | 0.71 | ALDH1A1 (0.38) | — | |
| Ethylenediamine SCHEMBL11313776 | 0.69 | TTR (0.46) | — | |
| Ethylenediamine SCHEMBL1075545 | 0.69 | — | — | |
| Acetic Acid SCHEMBL11235050 | 0.69 | — | — | |
| Pentanal SCHEMBL28309002 | 0.67 | — | — |
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-8536273-B2 | Liquid epoxy resin, polyoxyalkyleneamine type hardener and methyl methacrylate block or core shell copolymer impact modifier; curing to form impact resistant materials | HUNTSMAN INTERNATIONAL LLC (US) | 2013-09-17 | — | — | US | disclosed |
| US-20080200589-A1 | Toughened Composition | HUNTSMAN INTERNATIONAL LLC (US) | 2008-08-21 | — | — | US | disclosed |