⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25804471 | 0.83 | KDM4E (0.33) | — | |
| SCHEMBL14079365 | 0.70 | — | — | |
| SCHEMBL14079363 | 0.70 | — | — | |
| SCHEMBL14079364 | 0.62 | — | — | |
| Ligustrazine SCHEMBL27509607 | 0.61 | LMNA (0.41) | — | |
| Ligustrazine SCHEMBL77624 | 0.61 | LMNA (0.41) | — | |
| Ligustrazine SCHEMBL583011 | 0.58 | KDM4E (0.39) | — | |
| Ligustrazine SCHEMBL583535 | 0.58 | KDM4E (0.39) | — | |
| SCHEMBL10020544 | 0.56 | — | — | |
| SCHEMBL3874742 | 0.55 | MAPT (0.38) | — |
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-20080193793-A1 | Material For Doped And Undoped Hole And Electron Transport Layer | TECHNISCHE UNIVERSITAET BRAUNSCHWEIG (DE) | 2008-08-14 | — | — | US | disclosed |