⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11985919 | 0.77 | — | — | |
| SCHEMBL20844198 | 0.72 | — | — | |
| SCHEMBL16860515 | 0.69 | — | — | |
| SCHEMBL9430870 | 0.69 | ALDH2 (0.36) | — | |
| SCHEMBL6756326 | 0.67 | — | — | |
| SCHEMBL18876371 | 0.61 | NQO1 (0.36) | — | |
| Calcium Chloride SCHEMBL28286169 | 0.58 | CYP3A4 (0.47) | — | |
| SCHEMBL172591 | 0.56 | CD44 (0.45) | — | |
| SCHEMBL29403294 | 0.56 | CYP3A4 (0.41) | — | |
| SCHEMBL120848 | 0.56 | CD44 (0.61) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120202794-A1 | COMPOUNDS | PHARMASSET, INC. (US) | 2012-08-09 | — | — | US | disclosed |
| US-20120202794-A1 | COMPOUNDS | PHARMASSET, INC. (US) | 2012-08-09 | — | — | US | disclosed |