⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7612 | 0.96 | — | — | |
| SCHEMBL27523976 | 0.96 | PARP1 (0.30) | — | |
| SCHEMBL12501828 | 0.93 | — | — | |
| Water SCHEMBL18642501 | 0.93 | — | — | |
| SCHEMBL29201486 | 0.93 | — | — | |
| SCHEMBL30999499 | 0.93 | — | — | |
| SCHEMBL6345413 | 0.93 | — | — | |
| SCHEMBL2132650 | 0.93 | — | — | |
| SCHEMBL17629394 | 0.93 | — | — | |
| SCHEMBL32681392 | 0.93 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114641482-A | Material for organic electroluminescent device | 默克专利有限公司 | 2022-06-17 | — | — | CN | disclosed |
| CN-109963859-B | Bridged triarylamines for electronic devices | 默克专利有限公司 | 2022-06-07 | — | — | CN | disclosed |
| CN-114450268-A | Material for organic electroluminescent device | 默克专利有限公司 | 2022-05-06 | — | — | CN | disclosed |
| CN-114401973-A | Material for organic electroluminescent device | 默克专利有限公司 | 2022-04-26 | — | — | CN | disclosed |
| CN-114270555-A | Electronic device | 默克专利有限公司 | 2022-04-01 | — | — | CN | disclosed |