⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12515124 | 0.96 | PDK2 (0.30) | — | |
| SCHEMBL25783592 | 0.96 | PDK2 (0.30) | — | |
| SCHEMBL13483167 | 0.93 | PDK2 (0.33) | — | |
| SCHEMBL13710878 | 0.90 | — | — | |
| SCHEMBL1755513 | 0.89 | PDK2 (0.30) | — | |
| SCHEMBL15713446 | 0.89 | — | — | |
| SCHEMBL21559027 | 0.88 | — | — | |
| SCHEMBL20403649 | 0.88 | — | — | |
| SCHEMBL18468708 | 0.87 | — | — | |
| SCHEMBL22106444 | 0.87 | PDK2 (0.30) | — |
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-3101088-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | Merck Patent GmbH (DE) | 2016-12-07 | — | — | EP | disclosed |