⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1071315 | 0.64 | — | — | |
| SCHEMBL14274361 | 0.57 | — | — | |
| SCHEMBL14274542 | 0.57 | — | — | |
| SCHEMBL13679880 | 0.55 | — | — | |
| SCHEMBL11873697 | 0.55 | — | — | |
| SCHEMBL994590 | 0.55 | — | — | |
| SCHEMBL12163091 | 0.53 | — | — | |
| SCHEMBL13146342 | 0.53 | — | — | |
| SCHEMBL1070791 | 0.53 | — | — | |
| SCHEMBL12109588 | 0.53 | — | — |
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-2433941-A1 | Process for isolating the antiviral agent [1S-(1alpha, 3alpha, 4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one | Bristol-Myers Squibb Company (US) | 2012-03-28 | — | — | EP | disclosed |