⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7635866 | 0.95 | — | — | |
| SCHEMBL246615 | 0.95 | — | — | |
| SCHEMBL9361381 | 0.81 | — | — | |
| Perfluorocyclobutane SCHEMBL4855694 | 0.81 | — | — | |
| SCHEMBL9278425 | 0.78 | — | — | |
| SCHEMBL7628169 | 0.76 | — | — | |
| SCHEMBL166827 | 0.76 | — | — | |
| SCHEMBL1990694 | 0.73 | — | — | |
| SCHEMBL16095930 | 0.73 | — | — | |
| SCHEMBL166828 | 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-109310624-A | The topical composition of Apremilast | 托伦特药物有限公司 | 2019-02-05 | — | — | CN | disclosed |