⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23981392 | 0.92 | PDK2 (0.32) | — | |
| SCHEMBL14237987 | 0.90 | PDK2 (0.34) | — | |
| SCHEMBL26184395 | 0.90 | PDK2 (0.31) | — | |
| SCHEMBL20976101 | 0.87 | — | — | |
| SCHEMBL25825755 | 0.87 | — | — | |
| SCHEMBL26460112 | 0.86 | — | — | |
| SCHEMBL19152444 | 0.86 | PDK2 (0.31) | — | |
| SCHEMBL12353066 | 0.86 | — | — | |
| SCHEMBL25766956 | 0.85 | PDK2 (0.30) | — | |
| SCHEMBL13180984 | 0.85 | 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-3693437-A1 | COMPOUNDS AND ORGANIC ELECTRONIC DEVICES | Merck Patent GmbH (DE) | 2020-08-12 | — | — | EP | disclosed |