⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14182229 | 0.77 | — | — | |
| SCHEMBL22454044 | 0.72 | — | — | |
| SCHEMBL4460537 | 0.72 | — | — | |
| SCHEMBL4460539 | 0.72 | — | — | |
| SCHEMBL3238830 | 0.72 | — | — | |
| SCHEMBL18722723 | 0.72 | — | — | |
| SCHEMBL18805883 | 0.70 | — | — | |
| SCHEMBL24974883 | 0.70 | FUCA1 (0.32) | — | |
| SCHEMBL13010055 | 0.70 | PYGB (0.36) | — | |
| SCHEMBL21539187 | 0.70 | PYGB (0.36) | — |
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-20100158866-A1 | PREDICTION OF HCV TREATMENT RESPONSE | ROCHE PALO ALTO LLC | 2010-06-24 | — | — | US | disclosed |