⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24236215 | 0.99 | RXRA (0.30) | — | |
| SCHEMBL18267060 | 0.96 | BRD4 (0.30) | — | |
| SCHEMBL16219673 | 0.95 | PDK2 (0.32) | — | |
| SCHEMBL15491026 | 0.95 | ALDH1A1 (0.32) | — | |
| SCHEMBL17548644 | 0.94 | BRD4 (0.31) | — | |
| SCHEMBL16219632 | 0.94 | RXRA (0.30) | — | |
| SCHEMBL24648088 | 0.93 | PGR (0.34) | — | |
| SCHEMBL22662398 | 0.93 | PDK2 (0.33) | — | |
| SCHEMBL17153676 | 0.92 | PDK2 (0.33) | — | |
| SCHEMBL21651676 | 0.92 | PIK3CA (0.31) | — |
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-20220140247-A1 | PLURALITY OF HOST MATERIALS, COMPOSITION COMPRISING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME | DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) | 2022-05-05 | — | — | US | disclosed |
| US-20220037596-A1 | PLURALITY OF LIGHT-EMITTING MATERIALS, ORGANIC ELECTROLUMINESCENT COMPOUND, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME | U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT | 2022-02-03 | — | — | US | disclosed |