⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1528422 | 1.00 | — | — | |
| SCHEMBL28181515 | 0.93 | — | — | |
| SCHEMBL1477620 | 0.93 | — | — | |
| SCHEMBL5900987 | 0.93 | — | — | |
| SCHEMBL9304447 | 0.93 | — | — | |
| SCHEMBL49906 | 0.89 | — | — | |
| SCHEMBL5611394 | 0.87 | — | — | |
| SCHEMBL15262017 | 0.86 | — | — | |
| SCHEMBL1160110 | 0.82 | — | — | |
| SCHEMBL11042954 | 0.79 | CETP (0.31) | — |
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-7420071-B2 | Urethanes, ureas or esters of thiocarbamic acid, for use with fillers in the preparation of polymer composites and nanocomposites; compatibility between the filler and hydrophobic polymers such as polyolefins | UCHICAGO ARGONNE, LLC (US) | 2008-09-02 | — | — | US | disclosed |
| US-20060252851-A1 | Urethanes, ureas or esters of thiocarbamic acid, for use with fillers in the preparation of polymer composites and nanocomposites; compatibility between the filler and hydrophobic polymers such as polyolefins | THE UNIVERSITY OF CHICAGO | 2006-11-09 | — | — | US | disclosed |