⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL995983 | 0.82 | SOS2 (0.50) | — | |
| SCHEMBL4755029 | 0.76 | — | — | |
| SCHEMBL29988787 | 0.75 | CTSS (0.55) | — | |
| SCHEMBL9220648 | 0.75 | CTSS (0.55) | — | |
| SCHEMBL1771966 | 0.73 | CTSS (0.53) | — | |
| SCHEMBL128525 | 0.73 | — | — | |
| SCHEMBL129516 | 0.71 | — | — | |
| SCHEMBL506943 | 0.71 | — | — | |
| SCHEMBL17796259 | 0.71 | — | — | |
| SCHEMBL938230 | 0.71 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111793021-B | Method for preparing 6-cyano-pyridine-2-ketone derivative through safe cyanidation | 温州大学 | 2022-09-20 | — | — | CN | claimed |
| CN-111793021-A | Method for preparing 6-cyano-pyridine-2-ketone derivative through safe cyanidation | 温州大学 | 2020-10-20 | — | — | CN | claimed |
| CN-115916765-A | Pyridine or pyrimidine derivative and preparation method and application thereof | 浙江海正药业股份有限公司 | 2023-04-04 | — | — | CN | disclosed |
| CN-111793021-B | Method for preparing 6-cyano-pyridine-2-ketone derivative through safe cyanidation | 温州大学 | 2022-09-20 | — | — | CN | disclosed |
| CN-111793021-A | Method for preparing 6-cyano-pyridine-2-ketone derivative through safe cyanidation | 温州大学 | 2020-10-20 | — | — | CN | disclosed |
| WO-2013163466-A1 | INHIBITORS OF HEPATITIS C VIRUS | PRESIDIO PHARMACEUTICALS, INC. (US) | 2013-10-31 | — | — | WO | disclosed |
| US-4046896-A | 1-Methyl-2-(pyridyl-oxymethyl)-5-nitro-imidazoles | HOECHST AKTIENGESELLSCHAFT (DT) | 1977-09-06 | — | — | US | disclosed |