⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20008308 | 0.71 | NPC1 (0.36) | — | |
| SCHEMBL20008531 | 0.70 | — | — | |
| SCHEMBL20008186 | 0.70 | — | — | |
| SCHEMBL20009577 | 0.70 | — | — | |
| SCHEMBL26544451 | 0.66 | NR1H4 (0.50) | — | |
| SCHEMBL19187802 | 0.66 | ALDH1A1 (0.33) | — | |
| SCHEMBL10332053 | 0.66 | SMN1; SMN2 (0.43) | — | |
| SCHEMBL23019251 | 0.65 | TGM2 (0.33) | — | |
| SCHEMBL12852620 | 0.64 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL24385213 | 0.62 | NFE2L2 (0.38) | — |
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 |