⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28455643 | 0.89 | — | — | |
| SCHEMBL12477657 | 0.89 | — | — | |
| SCHEMBL7772973 | 0.87 | — | — | |
| SCHEMBL721808 | 0.74 | KDM4E (0.32) | — | |
| SCHEMBL1287222 | 0.74 | KDM4E (0.32) | — | |
| SCHEMBL1287355 | 0.73 | CA1 (0.47) | — | |
| SCHEMBL21052575 | 0.71 | MMP1 (0.31) | — | |
| SCHEMBL17818353 | 0.71 | MMP1 (0.31) | — | |
| SCHEMBL12477586 | 0.69 | — | — | |
| SCHEMBL29009548 | 0.67 | CTSA (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012048013-A2 | PHOSPHORODIAMIDATE DERIVATIVES OF GUANOSINE NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INJECTIONS | INHIBITEX, INC. (US) | 2012-04-12 | — | — | WO | disclosed |