⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20008137 | 0.69 | PIK3C3 (0.31) | — | |
| SCHEMBL20008179 | 0.67 | MAPT (0.31) | — | |
| SCHEMBL20009507 | 0.66 | MAPT (0.33) | — | |
| SCHEMBL20008799 | 0.64 | — | — | |
| SCHEMBL20008153 | 0.63 | — | — | |
| SCHEMBL20009447 | 0.63 | MAPT (0.33) | — | |
| SCHEMBL20008490 | 0.63 | PLAU (0.32) | — | |
| SCHEMBL20008433 | 0.63 | PRMT5 (0.30) | — | |
| SCHEMBL20008372 | 0.62 | OPRK1 (0.31) | — | |
| SCHEMBL20008285 | 0.61 | — | — |
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-3299367-A1 | BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS | Novartis AG (CH) | 2018-03-28 | — | — | EP | disclosed |