⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12594543 | 0.80 | CNR2 (0.41) | — | |
| SCHEMBL12594529 | 0.73 | CYP2C8 (0.43) | — | |
| SCHEMBL2606549 | 0.66 | PDK2 (0.43) | — | |
| SCHEMBL2606548 | 0.62 | PDK2 (0.43) | — | |
| SCHEMBL19526813 | 0.62 | — | — | |
| SCHEMBL13493204 | 0.62 | CYP2C8 (0.31) | — | |
| SCHEMBL353237 | 0.61 | CYP2C8 (0.40) | — | |
| SCHEMBL20960253 | 0.60 | PPARG (0.37) | — | |
| SCHEMBL24341258 | 0.60 | — | — | |
| SCHEMBL14365749 | 0.60 | CYP2C8 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010012328-A1 | COMPOUNDS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2010-02-04 | — | — | WO | disclosed |