⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6653563 | 1.00 | — | — | |
| SCHEMBL6702518 | 0.75 | — | — | |
| SCHEMBL25821921 | 0.75 | — | — | |
| Maleic Acid SCHEMBL29087113 | 0.71 | — | — | |
| SCHEMBL14681174 | 0.71 | — | — | |
| Fumaric Acid SCHEMBL5875144 | 0.69 | TSHR (0.69) | — | |
| Fumaric Acid SCHEMBL5874539 | 0.69 | TSHR (0.69) | — | |
| Maleic Acid SCHEMBL5874530 | 0.69 | TSHR (0.69) | — | |
| Maleic Acid SCHEMBL5874523 | 0.69 | TSHR (0.69) | — | |
| Fumaric Acid SCHEMBL5874534 | 0.69 | TSHR (0.69) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117957219-A | Pyridine derivative and application thereof | 四川汇宇制药股份有限公司 | 2024-04-30 | — | — | CN | disclosed |
| WO-2023045960-A1 | PYRIDINE DERIVATIVE AND USE THEREOF | 四川汇宇制药股份有限公司 | 2023-03-30 | — | — | WO | disclosed |