⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16349692 | 0.74 | — | — | |
| SCHEMBL6520813 | 0.59 | TDP1 (0.39) | — | |
| SCHEMBL13216027 | 0.59 | POLB (0.31) | — | |
| SCHEMBL822328 | 0.59 | POLB (0.31) | — | |
| SCHEMBL821226 | 0.59 | TDP1 (0.39) | — | |
| SCHEMBL10035468 | 0.57 | GSK3A (0.33) | — | |
| SCHEMBL28366362 | 0.56 | ALDH1A1 (0.52) | — | |
| SCHEMBL7547429 | 0.55 | CYP3A4 (0.34) | — | |
| SCHEMBL22902423 | 0.55 | — | — | |
| SCHEMBL9750804 | 0.54 | — | — |
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-7550619-B2 | Intermediates in the preparation of the antiviral agent [1S-(1α, 3α, 4β)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxmethyl)-2-methylenecyclopentyl]-6H-purin-6-one | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-06-23 | — | — | US | disclosed |