⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28622547 | 0.71 | — | — | |
| SCHEMBL27649649 | 0.70 | — | — | |
| SCHEMBL28566397 | 0.69 | CYP11B1 (0.30) | — | |
| SCHEMBL31214642 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL31315859 | 0.68 | — | — | |
| SCHEMBL2227258 | 0.63 | — | — | |
| SCHEMBL7396289 | 0.52 | FFAR3 (0.31) | — | |
| SCHEMBL248308 | 0.51 | — | — | |
| Hydrochloric Acid SCHEMBL9422815 | 0.50 | — | — | |
| SCHEMBL22235786 | 0.49 | GRM1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-217093424-U | Dehydration condensation equipment for preparing 4-cyanopyridine-4-carboxylic acid | 济南泺合医药技术有限公司 | 2022-08-02 | — | — | CN | claimed |
| CN-217093424-U | Dehydration condensation equipment for preparing 4-cyanopyridine-4-carboxylic acid | 济南泺合医药技术有限公司 | 2022-08-02 | — | — | CN | disclosed |
| CN-217093424-U | Dehydration condensation equipment for preparing 4-cyanopyridine-4-carboxylic acid | 济南泺合医药技术有限公司 | 2022-08-02 | — | — | CN | disclosed |
| CN-217093424-U | Dehydration condensation equipment for preparing 4-cyanopyridine-4-carboxylic acid | 济南泺合医药技术有限公司 | 2022-08-02 | — | — | CN | disclosed |