⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27870229 | 0.87 | PDXK (0.31) | — | |
| SCHEMBL27925993 | 0.86 | PRKCG (0.31) | — | |
| SCHEMBL28089741 | 0.83 | SLC22A8 (0.30) | — | |
| SCHEMBL4960630 | 0.74 | TRPA1 (0.34) | — | |
| SCHEMBL23516391 | 0.73 | XDH (0.37) | — | |
| SCHEMBL10041477 | 0.71 | SLC22A8 (0.33) | — | |
| SCHEMBL28407307 | 0.71 | MEN1 (0.33) | — | |
| SCHEMBL1992217 | 0.71 | BACE1 (0.41) | — | |
| SCHEMBL2817418 | 0.70 | ESR2 (0.33) | — | |
| SCHEMBL4957893 | 0.70 | ALDH1A1 (0.32) | — |
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-20030068542-A1 | Bipolar plate for fuel cell, method for manufacturing the bipolar plate, and fuel cell using the bipolar plate | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2003-04-10 | — | — | US | disclosed |
| EP-1298748-A2 | Bipolar plate for fuel cell, method for manufacturing the bipolar plate, and fuel cell using the bipolar plate | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2003-04-02 | — | — | EP | disclosed |