⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23222853 | 0.88 | PDK2 (0.32) | — | |
| SCHEMBL22182135 | 0.88 | — | — | |
| SCHEMBL22902164 | 0.81 | MEN1 (0.34) | — | |
| SCHEMBL21416438 | 0.81 | PDK2 (0.32) | — | |
| SCHEMBL17901863 | 0.79 | — | — | |
| SCHEMBL23449546 | 0.77 | PDK2 (0.38) | — | |
| SCHEMBL24751429 | 0.77 | MAPT (0.36) | — | |
| SCHEMBL25496446 | 0.77 | PDK2 (0.38) | — | |
| SCHEMBL19298801 | 0.77 | PDK2 (0.38) | — | |
| SCHEMBL19299367 | 0.77 | PDK2 (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-3419960-B1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2020-07-01 | — | — | EP | disclosed |