⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9750824 | 0.54 | — | — | |
| SCHEMBL9750804 | 0.54 | — | — | |
| SCHEMBL1668936 | 0.54 | — | — | |
| SCHEMBL15693706 | 0.45 | — | — | |
| SCHEMBL15258899 | 0.44 | — | — | |
| SCHEMBL140588 | 0.41 | — | — | |
| SCHEMBL12920697 | 0.38 | ALDH1A1 (0.37) | — | |
| SCHEMBL21375610 | 0.38 | — | — | |
| SCHEMBL23234417 | 0.35 | — | — | |
| SCHEMBL5115934 | 0.35 | — | — |
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-7541460-B2 | Process for preparing the antiviral agent [1S-(1alpha, 3alpha, 4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-3-methylenecyclopentyl]-6H-purin-6-one | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-06-02 | — | — | US | disclosed |