⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28600525 | 0.97 | — | — | |
| Ethylene SCHEMBL8854273 | 0.94 | SLC22A6 (0.40) | — | |
| Ethylene SCHEMBL8854300 | 0.91 | SLC22A6 (0.39) | — | |
| SCHEMBL6277591 | 0.78 | — | — | |
| SCHEMBL7209820 | 0.75 | SLC22A6 (0.40) | — | |
| SCHEMBL8527696 | 0.75 | — | — | |
| SCHEMBL6772028 | 0.75 | — | — | |
| SCHEMBL6946806 | 0.75 | — | — | |
| SCHEMBL14890402 | 0.75 | — | — | |
| SCHEMBL1985953 | 0.75 | — | — |
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-107428682-B | Amide derivatives, preparation method and medical application thereof | 浙江海正药业股份有限公司 | 2021-02-02 | — | — | CN | disclosed |