⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24408810 | 0.89 | — | — | |
| SCHEMBL24408819 | 0.78 | HDAC3 (0.33) | — | |
| SCHEMBL24409009 | 0.75 | HDAC3 (0.30) | — | |
| SCHEMBL24408934 | 0.74 | — | — | |
| SCHEMBL24408809 | 0.64 | KCNH2 (0.32) | — | |
| Trifluoroacetic Acid SCHEMBL20975407 | 0.62 | — | — | |
| Trifluoroacetic Acid SCHEMBL17255283 | 0.62 | — | — | |
| SCHEMBL21326744 | 0.60 | KDM4E (0.37) | — | |
| Trifluoroacetic Acid SCHEMBL31439473 | 0.59 | — | — | |
| Trifluoroacetic Acid SCHEMBL31579729 | 0.59 | SLC6A2 (0.32) | — |
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-2022095971-A1 | SPIRO HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海医药集团股份有限公司 | 2022-05-12 | — | — | WO | disclosed |