⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1568221 | 1.00 | — | — | |
| SCHEMBL8441739 | 0.97 | — | — | |
| SCHEMBL11258081 | 0.97 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL8440180 | 0.97 | — | — | |
| SCHEMBL23142927 | 0.83 | — | — | |
| SCHEMBL3871855 | 0.80 | — | — | |
| SCHEMBL10826210 | 0.80 | — | — | |
| SCHEMBL10796186 | 0.80 | — | — | |
| SCHEMBL10796190 | 0.80 | — | — | |
| SCHEMBL10453430 | 0.78 | ALDH1A1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110461858-A | Acyl nucleosides phosphonate ester, its prodrug and its purposes as drug | UNIV MONTPELLIER | 2019-11-15 | — | — | CN | disclosed |