⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20860629 | 0.77 | — | — | |
| SCHEMBL21698373 | 0.67 | — | — | |
| SCHEMBL21912902 | 0.65 | ADORA1 (0.39) | — | |
| SCHEMBL24899520 | 0.63 | — | — | |
| SCHEMBL16784614 | 0.60 | POLB (0.35) | — | |
| SCHEMBL26542519 | 0.59 | — | — | |
| SCHEMBL23676608 | 0.58 | KMT2A (0.41) | — | |
| SCHEMBL21914013 | 0.58 | — | — | |
| SCHEMBL1071912 | 0.57 | — | — | |
| SCHEMBL24856795 | 0.57 | — | — |
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-3904366-A1 | END CAPPED NUCLEIC ACID MOLECULES | Novartis AG (CH) | 2021-11-03 | — | — | EP | disclosed |