⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17714057 | 0.68 | — | — | |
| SCHEMBL29813305 | 0.68 | — | — | |
| SCHEMBL19267320 | 0.66 | — | — | |
| SCHEMBL19220748 | 0.66 | — | — | |
| SCHEMBL18876317 | 0.64 | — | — | |
| SCHEMBL771887 | 0.63 | — | — | |
| SCHEMBL7791817 | 0.61 | NR1D1 (0.33) | — | |
| SCHEMBL12278104 | 0.60 | — | — | |
| SCHEMBL10085120 | 0.60 | — | — | |
| SCHEMBL18876377 | 0.60 | CYP2A6 (0.35) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116478201-B | Thiophene-based chiral phenanthrene [9] spiroalkene, and preparation method and application thereof | 河南大学 | 2025-02-07 | — | — | CN | claimed |
| CN-116478201-A | Thiophene-based chiral phenanthrene [9] spiroalkene, and preparation method and application thereof | 河南大学 | 2023-07-25 | — | — | CN | claimed |
| CN-116478201-B | Thiophene-based chiral phenanthrene [9] spiroalkene, and preparation method and application thereof | 河南大学 | 2025-02-07 | — | — | CN | disclosed |
| CN-116478201-A | Thiophene-based chiral phenanthrene [9] spiroalkene, and preparation method and application thereof | 河南大学 | 2023-07-25 | — | — | CN | disclosed |