⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13623422 | 0.91 | — | — | |
| SCHEMBL13509038 | 0.91 | — | — | |
| SCHEMBL13508979 | 0.87 | — | — | |
| SCHEMBL13508975 | 0.86 | — | — | |
| SCHEMBL13511428 | 0.86 | — | — | |
| SCHEMBL13508983 | 0.85 | PPARG (0.32) | — | |
| SCHEMBL13495096 | 0.85 | PDK2 (0.30) | — | |
| SCHEMBL20036954 | 0.85 | PDK2 (0.30) | — | |
| SCHEMBL13511456 | 0.84 | — | — | |
| SCHEMBL12703091 | 0.84 | ALDH1A1 (0.33) | — |
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-2009141026-A1 | COMPOUNDS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH, (DE) | 2009-11-26 | — | — | WO | disclosed |