⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16186882 | 0.82 | FLT3 (0.31) | — | |
| SCHEMBL14979325 | 0.76 | PDK2 (0.31) | — | |
| SCHEMBL15868864 | 0.76 | PTGES (0.30) | — | |
| SCHEMBL15137577 | 0.75 | — | — | |
| SCHEMBL15138563 | 0.75 | — | — | |
| SCHEMBL23655192 | 0.74 | CA12 (0.35) | — | |
| SCHEMBL19061846 | 0.73 | L3MBTL1 (0.33) | — | |
| SCHEMBL24604117 | 0.72 | KDM4E (0.35) | — | |
| SCHEMBL15868865 | 0.72 | NPC1 (0.38) | — | |
| SCHEMBL13086752 | 0.71 | NPC1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013073859-A1 | NOVEL ORGANIC ELECTROLUMINESCENCE COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2013-05-23 | — | — | WO | disclosed |