⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20101728 | 0.83 | — | — | |
| SCHEMBL20101735 | 0.83 | AHR (0.31) | — | |
| SCHEMBL20101827 | 0.73 | — | — | |
| SCHEMBL20101749 | 0.68 | — | — | |
| SCHEMBL20101747 | 0.68 | — | — | |
| SCHEMBL16890199 | 0.68 | AHR (0.34) | — | |
| SCHEMBL20101741 | 0.67 | AHR (0.31) | — | |
| SCHEMBL20544653 | 0.67 | MAOA (0.36) | — | |
| SCHEMBL20561628 | 0.67 | BCHE (0.36) | — | |
| SCHEMBL20101792 | 0.66 | AHR (0.32) | — |
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-20180123057-A1 | POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME | SAMSUNG DISPLAY CO., LTD. (KR) | 2018-05-03 | — | — | US | disclosed |
| US-20180123057-A1 | POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME | SAMSUNG DISPLAY CO., LTD. (KR) | 2018-05-03 | — | — | US | disclosed |