⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17849651 | 0.93 | RXRA (0.31) | — | |
| SCHEMBL17849656 | 0.92 | PDK2 (0.31) | — | |
| SCHEMBL17849652 | 0.90 | PIM1 (0.31) | — | |
| SCHEMBL13888829 | 0.88 | RXRA (0.33) | — | |
| SCHEMBL17849660 | 0.88 | LPL (0.31) | — | |
| SCHEMBL17849655 | 0.88 | PDK2 (0.31) | — | |
| SCHEMBL17849662 | 0.87 | — | — | |
| SCHEMBL17849671 | 0.86 | PDK2 (0.30) | — | |
| SCHEMBL13888828 | 0.85 | CYP1A2 (0.33) | — | |
| SCHEMBL13371448 | 0.85 | — | — |
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-9371270-B2 | Compound for organic light-emitting device and organic light-emitting device including the same | SAMSUNG DISPLAY CO., LTD. (KR) | 2016-06-21 | — | — | US | disclosed |
| US-9371270-B2 | Compound for organic light-emitting device and organic light-emitting device including the same | SAMSUNG DISPLAY CO., LTD. (KR) | 2016-06-21 | — | — | US | disclosed |