⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15958813 | 0.80 | — | — | |
| SCHEMBL12345364 | 0.80 | — | — | |
| SCHEMBL19741596 | 0.78 | — | — | |
| SCHEMBL12731307 | 0.76 | ASF1A (0.44) | — | |
| SCHEMBL9475127 | 0.75 | — | — | |
| SCHEMBL18357912 | 0.70 | — | — | |
| SCHEMBL15423022 | 0.70 | — | — | |
| SCHEMBL12673991 | 0.70 | — | — | |
| SCHEMBL6755444 | 0.70 | — | — | |
| SCHEMBL13539650 | 0.69 | — | — |
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-2017129818-A1 | LINKER MOLECULE AND USE THEREOF IN METHODS FOR PURIFYING PEPTIDES | HUMBOLDT-UNIVERSITÄT ZU BERLIN (DE) | 2017-08-03 | — | — | WO | disclosed |