⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18583338 | 1.00 | — | — | |
| SCHEMBL26298525 | 1.00 | — | — | |
| SCHEMBL26701187 | 1.00 | — | — | |
| SCHEMBL4747791 | 0.73 | — | — | |
| SCHEMBL25696622 | 0.68 | — | — | |
| SCHEMBL4747805 | 0.68 | — | — | |
| SCHEMBL4747799 | 0.67 | — | — | |
| SCHEMBL4747789 | 0.67 | — | — | |
| SCHEMBL4747874 | 0.66 | — | — | |
| SCHEMBL4747869 | 0.66 | — | — |
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-3386590-B1 | BICYCLIC INHIBITORS OF PAD4 | PADLOCK THERAPEUTICS INC (US) | 2021-06-02 | — | — | EP | disclosed |