⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17383352 | 0.85 | CYP2C9 (0.39) | — | |
| SCHEMBL765210 | 0.78 | — | — | |
| SCHEMBL12660310 | 0.75 | — | — | |
| SCHEMBL13990949 | 0.71 | TP53 (0.35) | — | |
| SCHEMBL20648713 | 0.71 | — | — | |
| SCHEMBL18594789 | 0.71 | — | — | |
| SCHEMBL18135268 | 0.69 | — | — | |
| SCHEMBL3940322 | 0.69 | — | — | |
| SCHEMBL20752397 | 0.68 | PIK3CD (0.37) | — | |
| Ethane SCHEMBL7937798 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2066648-B1 | SUBSTITUTED DIMETHYLCYCLOBUTYL COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS | ESTEVE LABOR DR (ES) | 2017-04-12 | — | — | EP | disclosed |