⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21559167 | 0.87 | — | — | |
| SCHEMBL23191499 | 0.85 | PDK2 (0.34) | — | |
| SCHEMBL15200734 | 0.82 | PDK2 (0.33) | — | |
| SCHEMBL25125643 | 0.82 | PDK2 (0.33) | — | |
| SCHEMBL19010978 | 0.81 | PDK2 (0.36) | — | |
| SCHEMBL21622820 | 0.81 | PDK2 (0.33) | — | |
| SCHEMBL21742814 | 0.81 | PDK2 (0.33) | — | |
| SCHEMBL17816679 | 0.81 | PDK2 (0.33) | — | |
| SCHEMBL21559088 | 0.81 | PDK2 (0.33) | — | |
| SCHEMBL20687369 | 0.81 | PDK2 (0.33) | — |
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-3235892-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | Merck Patent GmbH (DE) | 2017-10-25 | — | — | EP | disclosed |