⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16378874 | 0.81 | — | — | |
| SCHEMBL25797559 | 0.78 | — | — | |
| SCHEMBL18233152 | 0.75 | — | — | |
| SCHEMBL21559890 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL25797561 | 0.73 | ACHE (0.37) | — | |
| SCHEMBL15617409 | 0.72 | — | — | |
| SCHEMBL13171605 | 0.71 | — | — | |
| SCHEMBL14062508 | 0.71 | — | — | |
| SCHEMBL2742876 | 0.71 | — | — | |
| SCHEMBL16543649 | 0.71 | — | — |
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-7727713-B2 | Templated molecules and methods for using such molecules | NUEVOLUTION A/S (DK) | 2010-06-01 | — | — | US | disclosed |