⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14946732 | 0.79 | TSHR (0.38) | — | |
| SCHEMBL25180 | 0.74 | — | — | |
| SCHEMBL13074302 | 0.74 | — | — | |
| SCHEMBL22157516 | 0.72 | — | — | |
| SCHEMBL22157517 | 0.72 | — | — | |
| SCHEMBL14847292 | 0.70 | — | — | |
| SCHEMBL28831624 | 0.68 | ALDH1A1 (0.43) | — | |
| SCHEMBL22567349 | 0.67 | MMP1 (0.32) | — | |
| SCHEMBL23156954 | 0.67 | TAS1R3 (0.31) | — | |
| SCHEMBL28057534 | 0.67 | — | — |
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-106518757-A | Method for synthesizing 2-halo-3-substited alkylsulfonyl pyridine and intermediate compound thereof through microwave method | 山东师范大学 | 2017-03-22 | — | — | CN | claimed |