⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL45919 | 0.76 | — | — | |
| SCHEMBL8319326 | 0.74 | JAK2 (0.31) | — | |
| SCHEMBL8589634 | 0.74 | — | — | |
| SCHEMBL10203456 | 0.72 | — | — | |
| SCHEMBL10203451 | 0.72 | — | — | |
| SCHEMBL3207936 | 0.72 | — | — | |
| SCHEMBL11888626 | 0.71 | CYP11B2 (0.31) | — | |
| SCHEMBL10664284 | 0.71 | — | — | |
| SCHEMBL8927140 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL15574 | 0.69 | ALDH1A1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110281200-A1 | COMPOUND AND COMPOSITION INCLUDING COMPOUND, WITH FUEL CELL, FUEL CELL ELECTRODE AND FUEL CELL ELECTROLYTE MEMBRANE USING SAME | SNU R&DB FOUNDATION (KR) | 2011-11-17 | — | — | US | disclosed |