⚠ 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 | |
|---|---|---|---|---|
| Purine SCHEMBL29456595 | 0.77 | — | — | |
| Purine SCHEMBL6421376 | 0.77 | KDM4A (0.38) | — | |
| Purine SCHEMBL3157 | 0.77 | — | — | |
| Purine SCHEMBL2120547 | 0.77 | KDM4A (0.38) | — | |
| Purine SCHEMBL5611476 | 0.76 | KDM4A (0.37) | — | |
| Purine SCHEMBL1389668 | 0.76 | KDM4A (0.37) | — | |
| Purine SCHEMBL9057416 | 0.76 | KDM4A (0.37) | — | |
| Purine SCHEMBL37119 | 0.76 | KDM4A (0.37) | — | |
| Purine SCHEMBL1150716 | 0.76 | KDM4A (0.37) | — | |
| Purine SCHEMBL5578775 | 0.76 | KDM4A (0.37) | — |
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-4121437-A1 | PRODRUGS OF 4'-C-SUBSTITUTED-2-HALO-2'-DEOXYADENOSINE NUCLEOSIDES AND METHODS OF MAKING AND USING THE SAME | GILEAD SCIENCES, INC. (US) | 2023-01-25 | — | — | EP | disclosed |