⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10010022 | 0.88 | PDK2 (0.30) | — | |
| SCHEMBL10010621 | 0.83 | ACHE (0.39) | — | |
| SCHEMBL10009824 | 0.83 | KIF11 (0.37) | — | |
| SCHEMBL10009845 | 0.81 | ABL1 (0.42) | — | |
| SCHEMBL10010019 | 0.80 | PGR (0.42) | — | |
| SCHEMBL10010634 | 0.80 | — | — | |
| SCHEMBL10010292 | 0.80 | ACHE (0.33) | — | |
| SCHEMBL24041174 | 0.79 | PBK (0.36) | — | |
| SCHEMBL10010018 | 0.78 | NPC1 (0.44) | — | |
| SCHEMBL17943939 | 0.78 | AHR (0.37) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120091885-A1 | NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME | Rohm and Haas Electronic Materials Korea Let. (KR) | 2012-04-19 | — | — | US | disclosed |