⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11829242 | 0.85 | — | — | |
| SCHEMBL8595614 | 0.63 | — | — | |
| SCHEMBL44900 | 0.60 | — | — | |
| SCHEMBL7673413 | 0.59 | — | — | |
| SCHEMBL6599870 | 0.59 | — | — | |
| SCHEMBL4026843 | 0.59 | — | — | |
| SCHEMBL7754282 | 0.58 | — | — | |
| SCHEMBL496676 | 0.56 | — | — | |
| SCHEMBL6767735 | 0.54 | — | — | |
| SCHEMBL4653773 | 0.54 | ALDH1A1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116178292-A | Fluoroalkyl and aza group substituted nucleoside analogue precursor, its synthesis method and medical use | 吴卫东 | 2023-05-30 | — | — | CN | disclosed |
| CN-1047220-A | PAN GRANULATION | DU PONT (US) | 1990-11-28 | — | — | CN | disclosed |