⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22060986 | 0.77 | — | — | |
| SCHEMBL23316111 | 0.74 | KDM4E (0.35) | — | |
| SCHEMBL19836357 | 0.70 | MAPT (0.36) | — | |
| SCHEMBL26318227 | 0.69 | MAPT (0.35) | — | |
| SCHEMBL19836359 | 0.67 | MAPT (0.37) | — | |
| SCHEMBL22922971 | 0.66 | MAPT (0.33) | — | |
| SCHEMBL20842758 | 0.64 | MAPT (0.37) | — | |
| SCHEMBL21263349 | 0.64 | SLC6A9 (0.37) | — | |
| SCHEMBL21698330 | 0.64 | MAPT (0.32) | — | |
| SCHEMBL23458237 | 0.64 | KDM1A (0.48) | — |
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-3227269-B1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2020-02-26 | — | — | EP | disclosed |