⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13609726 | 1.00 | — | — | |
| SCHEMBL18373104 | 1.00 | — | — | |
| SCHEMBL13195668 | 1.00 | — | — | |
| SCHEMBL172691 | 1.00 | — | — | |
| SCHEMBL1313388 | 0.96 | — | — | |
| SCHEMBL4237103 | 0.96 | — | — | |
| SCHEMBL1313724 | 0.92 | — | — | |
| SCHEMBL16385909 | 0.90 | — | — | |
| SCHEMBL12332800 | 0.84 | — | — | |
| SCHEMBL2102364 | 0.83 | — | — |
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-7642029-B2 | Imaging member | XEROX CORPORATION (US) | 2010-01-05 | — | — | US | disclosed |
| US-20080108839-A1 | AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME | IDEMITSU KOSAN CO., LTD. (JP) | 2008-05-08 | — | — | US | disclosed |