⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29558829 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL19413679 | 0.79 | — | — | |
| SCHEMBL1933053 | 0.74 | — | — | |
| SCHEMBL1933055 | 0.74 | — | — | |
| SCHEMBL2107728 | 0.72 | — | — | |
| SCHEMBL23731945 | 0.66 | — | — | |
| SCHEMBL15887650 | 0.66 | — | — | |
| SCHEMBL6374261 | 0.66 | — | — | |
| SCHEMBL23825490 | 0.65 | — | — | |
| SCHEMBL23825489 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3786290-A1 | PEPTIDES AND METHODS FOR THE CARBON-CARBON BOND FORMATION | Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2021-03-03 | — | — | EP | disclosed |