⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16144474 | 0.92 | — | — | |
| SCHEMBL16144404 | 0.90 | ALDH1A1 (0.32) | — | |
| SCHEMBL16144429 | 0.90 | — | — | |
| SCHEMBL16144483 | 0.87 | ALDH1A1 (0.31) | — | |
| SCHEMBL16144488 | 0.86 | OPRM1 (0.31) | — | |
| SCHEMBL16144408 | 0.85 | CCR1 (0.31) | — | |
| SCHEMBL15250254 | 0.85 | — | — | |
| SCHEMBL16144457 | 0.84 | EGFR (0.39) | — | |
| SCHEMBL16144407 | 0.83 | NPC1 (0.33) | — | |
| SCHEMBL16144456 | 0.82 | NOS3 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9583718-B2 | Pyrene-based compound and organic light-emitting diode including the same | SAMSUNG DISPLAY CO., LTD. (KR) | 2017-02-28 | — | — | US | disclosed |
| US-9583718-B2 | Pyrene-based compound and organic light-emitting diode including the same | SAMSUNG DISPLAY CO., LTD. (KR) | 2017-02-28 | — | — | US | disclosed |
| US-20140291646-A1 | PYRENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME | SAMSUNG DISPLAY CO., LTD. (KR) | 2014-10-02 | — | — | US | disclosed |
| US-20140291646-A1 | PYRENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME | SAMSUNG DISPLAY CO., LTD. (KR) | 2014-10-02 | — | — | US | disclosed |