⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24408853 | 0.85 | KMT2A (0.36) | — | |
| SCHEMBL24408842 | 0.81 | CCNC (0.42) | — | |
| SCHEMBL22520498 | 0.81 | IRAK4 (0.37) | — | |
| SCHEMBL22958245 | 0.80 | SIGMAR1 (0.43) | — | |
| SCHEMBL24408955 | 0.78 | NPY5R (0.33) | — | |
| SCHEMBL22495703 | 0.77 | TRPM8 (0.38) | — | |
| SCHEMBL24408909 | 0.76 | DRD2 (0.30) | — | |
| SCHEMBL23811371 | 0.75 | CHRNB2 (0.43) | — | |
| SCHEMBL23508661 | 0.74 | KMT2A (0.36) | — | |
| SCHEMBL24408840 | 0.74 | HTR2A (0.42) | — |
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 |