⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25379973 | 1.00 | — | — | |
| SCHEMBL30563701 | 0.98 | — | — | |
| SCHEMBL31188059 | 0.80 | SRC (0.52) | — | |
| SCHEMBL31188087 | 0.78 | SRC (0.52) | — | |
| SCHEMBL15636027 | 0.70 | MET (0.31) | — | |
| SCHEMBL15635405 | 0.70 | MET (0.31) | — | |
| SCHEMBL15635403 | 0.70 | MET (0.31) | — | |
| Bicarbonate SCHEMBL29175930 | 0.67 | JAK2 (0.44) | — | |
| SCHEMBL29072224 | 0.66 | — | — | |
| SCHEMBL29072222 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023165570-A1 | CYCLOALKYL OR HETEROCYCLYL SUBSTITUTED HETEROARYL COMPOUND, AND COMPOSITION AND USE THEREOF | 深圳市塔吉瑞生物医药有限公司 | 2023-09-07 | — | — | WO | disclosed |