⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12962078 | 0.92 | — | — | |
| SCHEMBL12962124 | 0.85 | — | — | |
| SCHEMBL12793987 | 0.80 | CCR5 (0.31) | — | |
| SCHEMBL12962080 | 0.79 | TRPV1 (0.31) | — | |
| SCHEMBL12962237 | 0.77 | — | — | |
| SCHEMBL12962075 | 0.76 | MEN1 (0.40) | — | |
| SCHEMBL12653272 | 0.73 | DGAT1 (0.39) | — | |
| SCHEMBL14652900 | 0.72 | SERPINE1 (0.35) | — | |
| SCHEMBL12653575 | 0.68 | ALDH1A1 (0.50) | — | |
| SCHEMBL12367737 | 0.67 | HPGD (0.47) | — |
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-2272894-A1 | POLYMER COMPOUND, RETICULATED POLYMER COMPOUND PRODUCED BY CROSSLINKING THE POLYMER COMPOUND, COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY, AND ORGANIC EL LIGHTING | Mitsubishi Chemical Corporation (JP) | 2011-01-12 | — | — | EP | disclosed |