⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20009697 | 0.80 | — | — | |
| SCHEMBL20008519 | 0.70 | — | — | |
| SCHEMBL3280389 | 0.63 | PIK3C3 (0.48) | — | |
| SCHEMBL20009921 | 0.60 | — | — | |
| SCHEMBL18633979 | 0.60 | KDM4E (0.33) | — | |
| SCHEMBL20008425 | 0.59 | CRHR1 (0.31) | — | |
| SCHEMBL22726080 | 0.59 | — | — | |
| SCHEMBL20008358 | 0.58 | VRK1 (0.31) | — | |
| SCHEMBL20008535 | 0.58 | VRK1 (0.31) | — | |
| SCHEMBL20008224 | 0.57 | OPRK1 (0.37) | — |
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 |