⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7752554 | 0.95 | SMN1; SMN2 (0.61) | — | |
| SCHEMBL7745314 | 0.90 | — | — | |
| SCHEMBL7745326 | 0.80 | — | — | |
| SCHEMBL3077689 | 0.75 | ALDH1A1 (0.68) | — | |
| SCHEMBL7752559 | 0.75 | SMN1; SMN2 (0.61) | — | |
| SCHEMBL14993350 | 0.72 | ALDH1A1 (0.56) | — | |
| SCHEMBL11597254 | 0.70 | ALDH1A1 (1.00) | — | |
| SCHEMBL491492 | 0.70 | ALDH1A1 (1.00) | — | |
| SCHEMBL11842060 | 0.70 | ALDH1A1 (1.00) | — | |
| SCHEMBL8396968 | 0.70 | — | — |
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-2001040245-A1 | N6 HETEROCYCLIC 5' MODIFIED ADENOSINE DERIVATIVES | CV THERAPEUTICS, INC. (US) | 2001-06-07 | — | — | WO | disclosed |