⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13397469 | 0.84 | — | — | |
| SCHEMBL18723478 | 0.78 | — | — | |
| SCHEMBL3318322 | 0.73 | CHRM5 (0.34) | — | |
| SCHEMBL18695805 | 0.71 | — | — | |
| SCHEMBL10258984 | 0.70 | — | — | |
| SCHEMBL18723626 | 0.70 | CD81 (0.32) | — | |
| SCHEMBL3313387 | 0.69 | EBP (0.33) | — | |
| SCHEMBL26027163 | 0.69 | — | — | |
| SCHEMBL16060618 | 0.69 | — | — | |
| SCHEMBL16822174 | 0.68 | — | — |
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 |