⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10397253 | 0.80 | ALDH1A1 (0.39) | — | |
| SCHEMBL31070018 | 0.78 | — | — | |
| SCHEMBL12620860 | 0.78 | — | — | |
| SCHEMBL10995944 | 0.78 | — | — | |
| SCHEMBL28629077 | 0.72 | ALDH1A1 (0.44) | — | |
| SCHEMBL4470052 | 0.71 | — | — | |
| SCHEMBL22198342 | 0.71 | — | — | |
| SCHEMBL25443962 | 0.69 | — | — | |
| SCHEMBL459388 | 0.69 | FFAR3 (0.43) | — | |
| SCHEMBL21765845 | 0.69 | ALDH1A1 (0.41) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109675723-A | Collecting agent and its preparation method and application with amide groups and thioamides base | 中南大学 | 2019-04-26 | — | — | CN | disclosed |
| US-8058322-B2 | Flame-retardant flexible polyurethane foam | ICL-IP AMERICA INC. (US) | 2011-11-15 | — | — | US | disclosed |
| US-20090281205-A1 | Flame-retardant flexible polyurethane foam | ICL-IP AMERICA INC. | 2009-11-12 | — | — | US | disclosed |
| EP-1885788-A2 | FLAME-RETARDANT FLEXIBLE POLYURETHANE FOAM | Supresta LLC (US) | 2008-02-13 | — | — | EP | disclosed |
| WO-2007001717-A9 | FLAME-RETARDANT FLEXIBLE POLYURETHANE FOAM | SUPRESTA LLC (US) | 2007-05-24 | — | — | WO | disclosed |
| WO-2007001717-A2 | FLAME-RETARDANT FLEXIBLE POLYURETHANE FOAM | SUPRESTA LLC (US) | 2007-01-04 | — | — | WO | disclosed |