⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8429253 | 0.79 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL8429251 | 0.79 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL167473 | 0.79 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL9506387 | 0.74 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL5603396 | 0.68 | CTSB (0.32) | — | |
| SCHEMBL30492776 | 0.67 | — | — | |
| SCHEMBL11347845 | 0.63 | — | — | |
| SCHEMBL11435287 | 0.63 | — | — | |
| SCHEMBL8852486 | 0.62 | — | — | |
| SCHEMBL9507715 | 0.62 | MEN1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116284025-A | Spiro heterocyclic compound with anticancer effect, pharmaceutical composition and application thereof | 国科大杭州高等研究院 | 2023-06-23 | — | — | CN | disclosed |