⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL488967 | 0.65 | — | — | |
| SCHEMBL4308456 | 0.51 | — | — | |
| SCHEMBL18648500 | 0.51 | — | — | |
| SCHEMBL2253543 | 0.49 | — | — | |
| SCHEMBL6708557 | 0.48 | — | — | |
| SCHEMBL7994079 | 0.48 | — | — | |
| SCHEMBL1141552 | 0.47 | — | — | |
| SCHEMBL7116041 | 0.46 | — | — | |
| SCHEMBL20337145 | 0.41 | — | — | |
| SCHEMBL28594007 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104844781-B | A kind of graphene chemical modification hard polyurethane foams | 杨秀莲 | 2018-03-23 | — | — | CN | disclosed |
| CN-104892886-B | A kind of hard resistance combustion polyurethane foam of low flue gas release | 杨秀莲 | 2017-12-26 | — | — | CN | disclosed |
| CN-104892886-A | Hard flame-retardant polyurethane foam low in smoke release | YANG XIULIAN | 2015-09-09 | — | — | CN | disclosed |
| CN-104844781-A | Graphene chemically-modified hard polyurethane foam | YANG XIULIAN | 2015-08-19 | — | — | CN | disclosed |