⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2379428 | 0.92 | CYP4F2 (0.31) | — | |
| SCHEMBL28522417 | 0.86 | — | — | |
| SCHEMBL1146387 | 0.86 | CTSK (0.31) | — | |
| SCHEMBL28535485 | 0.86 | CTSK (0.31) | — | |
| SCHEMBL2150746 | 0.84 | EPHX1 (0.31) | — | |
| SCHEMBL28514102 | 0.82 | — | — | |
| SCHEMBL28518414 | 0.80 | — | — | |
| SCHEMBL26409861 | 0.79 | TSHR (0.32) | — | |
| SCHEMBL28515970 | 0.77 | — | — | |
| SCHEMBL28514415 | 0.75 | — | — |
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-112341446-B | Immunomodulator | 成都先导药物开发股份有限公司 | 2022-06-17 | — | — | CN | disclosed |
| CN-112341446-A | Immunomodulator | 成都先导药物开发股份有限公司 | 2021-02-09 | — | — | CN | disclosed |