⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20008252 | 0.78 | — | — | |
| SCHEMBL20008224 | 0.72 | OPRK1 (0.37) | — | |
| SCHEMBL18633979 | 0.62 | KDM4E (0.33) | — | |
| SCHEMBL6626587 | 0.60 | SMN1; SMN2 (0.56) | — | |
| SCHEMBL612856 | 0.60 | KDM4E (0.48) | — | |
| SCHEMBL9508567 | 0.59 | KDM4E (0.47) | — | |
| SCHEMBL30711736 | 0.59 | PARP1 (0.53) | — | |
| SCHEMBL17382227 | 0.59 | PARP1 (0.53) | — | |
| SCHEMBL21886192 | 0.59 | CCR1 (0.31) | — | |
| SCHEMBL11918258 | 0.59 | CYP17A1 (0.35) | — |
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 |