⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23660562 | 1.00 | — | — | |
| SCHEMBL23660560 | 1.00 | — | — | |
| SCHEMBL23660674 | 1.00 | — | — | |
| SCHEMBL23660561 | 0.77 | GAA (0.31) | — | |
| SCHEMBL25446890 | 0.77 | GAA (0.31) | — | |
| SCHEMBL23660673 | 0.77 | GAA (0.31) | — | |
| SCHEMBL25446944 | 0.73 | — | — | |
| SCHEMBL25447531 | 0.73 | — | — | |
| SCHEMBL23660641 | 0.67 | GAA (0.33) | — | |
| SCHEMBL25446889 | 0.67 | GAA (0.33) | — |
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-2021143803-A1 | OPTICALLY PURE OXASPIRO-SUBSTITUTED PYRROLOPYRAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF | 上海海雁医药科技有限公司 | 2021-07-22 | — | — | WO | disclosed |