⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24078628 | 0.95 | MEN1 (0.31) | — | |
| SCHEMBL16383700 | 0.95 | ALDH1A1 (0.31) | — | |
| SCHEMBL25765711 | 0.94 | — | — | |
| SCHEMBL24078795 | 0.93 | KDM4E (0.30) | — | |
| SCHEMBL25966388 | 0.92 | KDM4E (0.32) | — | |
| SCHEMBL25965948 | 0.92 | — | — | |
| SCHEMBL25966294 | 0.92 | — | — | |
| SCHEMBL18518918 | 0.91 | — | — | |
| SCHEMBL18518812 | 0.91 | PDK2 (0.31) | — | |
| SCHEMBL23376487 | 0.91 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230255106-A1 | ORGANIC ELECTROLUMINESCENT APPARATUS | MERCK PATENT GMBH (DE) | 2023-08-10 | — | — | US | disclosed |
| US-20230255106-A1 | ORGANIC ELECTROLUMINESCENT APPARATUS | MERCK PATENT GMBH (DE) | 2023-08-10 | — | — | US | disclosed |