⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27804356 | 0.78 | — | — | |
| SCHEMBL18868445 | 0.72 | ALDH1A1 (0.47) | — | |
| SCHEMBL12572575 | 0.72 | ALDH1A1 (0.47) | — | |
| SCHEMBL18396664 | 0.72 | — | — | |
| SCHEMBL27740766 | 0.71 | — | — | |
| SCHEMBL129947 | 0.69 | — | — | |
| SCHEMBL199643 | 0.69 | — | — | |
| SCHEMBL14763431 | 0.69 | — | — | |
| SCHEMBL13270339 | 0.69 | — | — | |
| SCHEMBL60367 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9921498-B2 | Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus | CANON KABUSHIKI KAISHA (JP) | 2018-03-20 | — | — | US | disclosed |
| US-20160377998-A1 | ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS | CANON KABUSHIKI KAISHA (JP) | 2016-12-29 | — | — | US | disclosed |
| US-6903221-B2 | Method for producing β-ketoenol esters | BASF AKTIENGESELLSCHAFT (DE) | 2005-06-07 | — | — | US | disclosed |