⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23278055 | 0.88 | PDE2A (0.32) | — | |
| SCHEMBL12243144 | 0.88 | PDE2A (0.30) | — | |
| SCHEMBL12393237 | 0.88 | PDE2A (0.30) | — | |
| SCHEMBL13648927 | 0.83 | PDE2A (0.34) | — | |
| SCHEMBL18788247 | 0.80 | PDE2A (0.35) | — | |
| SCHEMBL13667496 | 0.80 | PTPN1 (0.34) | — | |
| SCHEMBL12243146 | 0.79 | HSPA5 (0.34) | — | |
| SCHEMBL20404007 | 0.79 | PDE2A (0.32) | — | |
| SCHEMBL23278060 | 0.79 | PDE2A (0.31) | — | |
| SCHEMBL23278061 | 0.78 | BCHE (0.32) | — |
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-10023600-B2 | Processes and intermediates for the preparation of 1′-substituted carba-nucleoside analogs | GILEAD SCIENCES, INC. (US) | 2018-07-17 | — | — | US | disclosed |