⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL124959 | 0.92 | — | — | |
| SCHEMBL17102125 | 0.86 | — | — | |
| SCHEMBL30770 | 0.84 | CXCR4 (0.47) | — | |
| SCHEMBL1461683 | 0.83 | — | — | |
| SCHEMBL21261840 | 0.83 | — | — | |
| SCHEMBL1461682 | 0.83 | — | — | |
| SCHEMBL23961874 | 0.81 | — | — | |
| SCHEMBL20965562 | 0.81 | ALDH1A1 (0.42) | — | |
| SCHEMBL1088943 | 0.81 | — | — | |
| SCHEMBL23937291 | 0.81 | ALDH1A1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2452997-A2 | COMPOUND FOR AN ORGANIC PHOTOELECTRIC ELEMENT, AND AN ORGANIC PHOTOELECTRIC ELEMENT COMPRISING THE SAME | Cheil Industries Inc. (KR) | 2012-05-16 | — | — | EP | disclosed |