⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6045772 | 0.85 | — | — | |
| SCHEMBL138687 | 0.85 | FBP1 (0.30) | — | |
| SCHEMBL6045394 | 0.84 | NPSR1 (0.33) | — | |
| SCHEMBL10380113 | 0.81 | — | — | |
| SCHEMBL1039509 | 0.80 | BTN3A1 (0.32) | — | |
| SCHEMBL199122 | 0.79 | — | — | |
| SCHEMBL320910 | 0.78 | P2RY2 (0.31) | — | |
| SCHEMBL25388821 | 0.77 | — | — | |
| SCHEMBL28237743 | 0.75 | — | — | |
| SCHEMBL27933879 | 0.74 | PYGB (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101426535-B | DNA virus microrna and methods for inhibiting same | UNIV ROCKEFELLER | 2012-09-05 | — | — | CN | disclosed |
| CN-101426535-A | DNA virus microrna and methods for inhibiting same | UNIV ROCKEFELLER (US) | 2009-05-06 | — | — | CN | disclosed |