⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27913833 | 0.89 | ALDH1A1 (0.32) | — | |
| SCHEMBL50777 | 0.89 | ALDH1A1 (0.32) | — | |
| SCHEMBL1056384 | 0.85 | ALDH1A1 (0.30) | — | |
| Water SCHEMBL28116863 | 0.85 | ALDH1A1 (0.30) | — | |
| SCHEMBL6154385 | 0.85 | ALDH1A1 (0.30) | — | |
| Fluoride SCHEMBL23120036 | 0.85 | ALDH1A1 (0.30) | — | |
| SCHEMBL3041911 | 0.85 | ALDH1A1 (0.30) | — | |
| Ammonia Solution, Strong SCHEMBL9328292 | 0.85 | ALDH1A1 (0.30) | — | |
| SCHEMBL10843317 | 0.81 | — | — | |
| Lithium Ion SCHEMBL10846050 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7820810-B2 | Process for the synthesis of 2′-O-substituted purine nulceosides | ISIS PHARMACEUTICALS, INC. (US) | 2010-10-26 | — | — | US | disclosed |
| US-20080234475-A1 | PROCESS FOR THE SYNTHESIS OF 2'-O-SUBSTITUTED PURINES | IONIS PHARMACEUTICALS, INC. | 2008-09-25 | — | — | US | disclosed |