⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1622952 | 0.97 | — | — | |
| SCHEMBL7408995 | 0.79 | — | — | |
| SCHEMBL4206897 | 0.67 | — | — | |
| SCHEMBL9862395 | 0.63 | — | — | |
| SCHEMBL5894751 | 0.59 | — | — | |
| SCHEMBL8127852 | 0.58 | ALDH1A1 (0.33) | — | |
| SCHEMBL8144096 | 0.58 | — | — | |
| SCHEMBL30979833 | 0.54 | GSK3A (0.92) | — | |
| SCHEMBL2785167 | 0.50 | — | — | |
| SCHEMBL7021498 | 0.50 | — | — |
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-116057048-A | Reagents for polyfluoroalkyl thiolation of organic compounds and methods for their production | 罗维拉威尔吉利大学 | 2023-05-02 | — | — | CN | disclosed |