⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28157416 | 0.69 | SCD (0.32) | — | |
| SCHEMBL2390664 | 0.68 | — | — | |
| SCHEMBL925364 | 0.66 | — | — | |
| SCHEMBL238943 | 0.63 | NPC1 (0.33) | — | |
| SCHEMBL28847273 | 0.62 | — | — | |
| SCHEMBL3875145 | 0.60 | — | — | |
| SCHEMBL4765516 | 0.60 | — | — | |
| SCHEMBL1983658 | 0.59 | TSHR (0.32) | — | |
| SCHEMBL5694447 | 0.59 | — | — | |
| SCHEMBL22276920 | 0.59 | — | — |
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-2003062257-A1 | DEAZAPURINE NUCLEOSIDE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS | RIBAPHARM INC. (US) | 2003-07-31 | — | — | WO | disclosed |