⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1687563 | 0.85 | MAPT (0.32) | — | |
| SCHEMBL355990 | 0.83 | SIGMAR1 (0.32) | — | |
| SCHEMBL12324880 | 0.82 | — | — | |
| SCHEMBL802818 | 0.80 | PDK2 (0.30) | — | |
| SCHEMBL18622614 | 0.78 | — | — | |
| SCHEMBL10213351 | 0.78 | PDK2 (0.32) | — | |
| SCHEMBL26041060 | 0.77 | — | — | |
| SCHEMBL355200 | 0.77 | — | — | |
| SCHEMBL2606538 | 0.77 | — | — | |
| SCHEMBL21253655 | 0.76 | MAPT (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012084114-A1 | ORGANIC ELECTROLUMINESCENT DEVICE | MERCK PATENT GMBH (DE) | 2012-06-28 | — | — | WO | disclosed |