⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24899645 | 0.79 | — | — | |
| SCHEMBL19296769 | 0.74 | ABL1 (0.31) | — | |
| SCHEMBL24899770 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL7295923 | 0.69 | HCAR2 (0.30) | — | |
| SCHEMBL12655562 | 0.68 | PSIP1 (0.46) | — | |
| SCHEMBL24899643 | 0.67 | APLNR (0.31) | — | |
| SCHEMBL7295928 | 0.67 | HCAR2 (0.33) | — | |
| SCHEMBL12656068 | 0.67 | ENPP2 (0.39) | — | |
| SCHEMBL578845 | 0.62 | PIK3CD (0.43) | — | |
| SCHEMBL20970437 | 0.62 | — | — |
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-2023284869-A1 | SULFUR/PHOSPHORUS-CONTAINING ARYL COMPOUND AND APPLICATION THEREOF | 南京明德新药研发有限公司 | 2023-01-19 | — | — | WO | disclosed |