⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12243218 | 0.92 | — | — | |
| SCHEMBL12243220 | 0.92 | PDE2A (0.32) | — | |
| SCHEMBL12243236 | 0.85 | PDE2A (0.33) | — | |
| SCHEMBL19997431 | 0.85 | PDE2A (0.33) | — | |
| SCHEMBL23278060 | 0.82 | PDE2A (0.31) | — | |
| SCHEMBL12243233 | 0.81 | PDE2A (0.31) | — | |
| SCHEMBL12393237 | 0.81 | PDE2A (0.30) | — | |
| SCHEMBL12243144 | 0.81 | PDE2A (0.30) | — | |
| SCHEMBL19997438 | 0.81 | HSPA5 (0.34) | — | |
| SCHEMBL12243146 | 0.80 | HSPA5 (0.34) | — |
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-2011035250-A1 | PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS | GILEAD SCIENCES, INC. (US) | 2011-03-24 | — | — | WO | disclosed |