⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL458082 | 0.86 | — | — | |
| SCHEMBL29113722 | 0.80 | — | — | |
| SCHEMBL23748355 | 0.77 | — | — | |
| SCHEMBL15671021 | 0.77 | — | — | |
| SCHEMBL1459529 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL3397886 | 0.72 | CYP1A2 (0.44) | — | |
| SCHEMBL4305079 | 0.72 | — | — | |
| SCHEMBL524905 | 0.70 | — | — | |
| SCHEMBL30682922 | 0.70 | TSHR (0.30) | — | |
| SCHEMBL20815544 | 0.69 | CYP1A2 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2255253-A1 | TWO-COMPONENT DEVELOPER | Canon Kabushiki Kaisha (JP) | 2010-12-01 | — | — | EP | disclosed |
| WO-2009113700-A1 | TWO-COMPONENT DEVELOPER | CANON KABUSHIKI KAISHA (JP) | 2009-09-17 | — | — | WO | disclosed |