⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12393239 | 1.00 | — | — | |
| SCHEMBL12243231 | 0.91 | HSPA5 (0.33) | — | |
| SCHEMBL12393241 | 0.88 | HSPA5 (0.34) | — | |
| SCHEMBL14038962 | 0.86 | TP53 (0.30) | — | |
| SCHEMBL19997394 | 0.82 | — | — | |
| SCHEMBL23278056 | 0.82 | HSPA5 (0.32) | — | |
| SCHEMBL2374198 | 0.81 | HSPA5 (0.35) | — | |
| SCHEMBL12243232 | 0.81 | HSPA5 (0.35) | — | |
| SCHEMBL19997429 | 0.81 | HSPA5 (0.35) | — | |
| SCHEMBL12243233 | 0.80 | PDE2A (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 |
|---|---|---|---|---|---|---|---|
| US-RE46762-E1 | 1′-substituted carba-nucleoside analogs for antiviral treatment | GILEAD SCIENCES, INC (US) | 2018-03-27 | — | — | US | disclosed |