⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11916708 | 0.77 | — | — | |
| SCHEMBL15528571 | 0.75 | — | — | |
| SCHEMBL11455637 | 0.75 | — | — | |
| SCHEMBL2084320 | 0.75 | — | — | |
| SCHEMBL2673921 | 0.75 | — | — | |
| SCHEMBL4546534 | 0.75 | — | — | |
| SCHEMBL30444491 | 0.74 | HDAC8 (0.32) | — | |
| SCHEMBL25300043 | 0.70 | HTT (0.38) | — | |
| SCHEMBL12733231 | 0.70 | HTT (0.38) | — | |
| SCHEMBL30979017 | 0.70 | MAPT (0.38) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111072559-B | Construction and application of 2, 6-dibromopyridine oxidation system | 浙江工商大学 | 2021-06-18 | — | — | CN | disclosed |
| CN-111072559-A | Construction and application of 2, 6-dibromopyridine oxidation system | 浙江工商大学 | 2020-04-28 | — | — | CN | disclosed |
| CN-1657523-A | Cyclic compounds | TANABE SEIYAKU CO (JP) | 2005-08-24 | — | — | CN | disclosed |
| CN-1440393-A | cyclic compound | TANABE SEIYAKU CO (JP) | 2003-09-03 | — | — | CN | disclosed |
| US-3948910-A | Aminohalopyridine-N-oxides | THE DOW CHEMICAL COMPANY (US) | 1976-04-06 | — | — | US | disclosed |