⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16169770 | 0.98 | CYP17A1 (0.30) | — | |
| SCHEMBL16169807 | 0.98 | CYP17A1 (0.30) | — | |
| SCHEMBL16169855 | 0.97 | CYP17A1 (0.31) | — | |
| SCHEMBL16169815 | 0.96 | PDK2 (0.32) | — | |
| SCHEMBL16169771 | 0.96 | LPL (0.30) | — | |
| SCHEMBL16169802 | 0.96 | LPL (0.30) | — | |
| SCHEMBL16169834 | 0.95 | LPL (0.30) | — | |
| SCHEMBL16169765 | 0.94 | PDK2 (0.30) | — | |
| SCHEMBL16169830 | 0.92 | PDK2 (0.30) | — | |
| SCHEMBL16169819 | 0.92 | PDK2 (0.33) | — |
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-9698356-B2 | Heteroaryl-based compound and organic light-emitting diode including the same | SAMSUNG DISPLAY CO., LTD. (KR) | 2017-07-04 | — | — | US | disclosed |
| US-9698356-B2 | Heteroaryl-based compound and organic light-emitting diode including the same | SAMSUNG DISPLAY CO., LTD. (KR) | 2017-07-04 | — | — | US | disclosed |
| US-20140306186-A1 | HETEROARYL-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME | SAMSUNG DISPLAY CO., LTD. (KR) | 2014-10-16 | — | — | US | disclosed |
| US-20140306186-A1 | HETEROARYL-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME | SAMSUNG DISPLAY CO., LTD. (KR) | 2014-10-16 | — | — | US | disclosed |