⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20009422 | 0.71 | MEN1 (0.33) | — | |
| SCHEMBL20008548 | 0.69 | TP53 (0.31) | — | |
| SCHEMBL20008147 | 0.69 | CASP1 (0.35) | — | |
| SCHEMBL20008186 | 0.68 | — | — | |
| SCHEMBL20009609 | 0.67 | BTK (0.32) | — | |
| SCHEMBL20009414 | 0.60 | MEN1 (0.33) | — | |
| SCHEMBL20008523 | 0.59 | LMNA (0.34) | — | |
| SCHEMBL20009423 | 0.59 | MEN1 (0.36) | — | |
| SCHEMBL25467893 | 0.57 | KMO (0.42) | — | |
| SCHEMBL22137862 | 0.57 | KMO (0.48) | — |
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 |