⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22437 | 0.79 | TSHR (0.56) | — | |
| SCHEMBL23662 | 0.78 | TSHR (0.47) | — | |
| SCHEMBL43867 | 0.76 | TSHR (0.53) | — | |
| SCHEMBL28291040 | 0.76 | TSHR (0.53) | — | |
| Propane SCHEMBL325596 | 0.76 | TSHR (0.53) | — | |
| SCHEMBL29280589 | 0.73 | TSHR (0.50) | — | |
| SCHEMBL3892017 | 0.73 | TSHR (0.50) | — | |
| Ethylene SCHEMBL28050612 | 0.73 | TSHR (0.50) | — | |
| Methyl Alcohol SCHEMBL8027284 | 0.73 | TSHR (0.50) | — | |
| SCHEMBL7099759 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105849177-A | Multimodal polyethylene composition with high pressure resistance | 北欧化工股份公司 | 2016-08-10 | — | — | CN | disclosed |