⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4607701 | 0.78 | — | — | |
| SCHEMBL11679540 | 0.78 | — | — | |
| SCHEMBL18266190 | 0.78 | — | — | |
| SCHEMBL9513753 | 0.77 | — | — | |
| SCHEMBL9513754 | 0.77 | — | — | |
| SCHEMBL13954958 | 0.72 | — | — | |
| SCHEMBL14886265 | 0.72 | — | — | |
| SCHEMBL23233753 | 0.72 | — | — | |
| SCHEMBL3357040 | 0.72 | — | — | |
| SCHEMBL886933 | 0.72 | ALDH1A1 (0.30) | — |
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-106831551-A | A kind of method of the ionic liquid method synthesis substituted hydrocarbon radical sulfonyl pyridine of 2 halo 3 and its intermediate | 山东师范大学 | 2017-06-13 | — | — | CN | disclosed |