⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9892 | 0.97 | — | — | |
| SCHEMBL29504106 | 0.97 | — | — | |
| SCHEMBL692915 | 0.97 | ALDH1A1 (1.00) | — | |
| Methane SCHEMBL767442 | 0.94 | — | — | |
| SCHEMBL28737096 | 0.94 | — | — | |
| Water SCHEMBL28855852 | 0.94 | ALDH1A1 (0.94) | — | |
| SCHEMBL3115003 | 0.94 | — | — | |
| SCHEMBL3120186 | 0.94 | — | — | |
| SCHEMBL3118210 | 0.94 | — | — | |
| Water SCHEMBL28870380 | 0.94 | — | — |
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-121758484-A | Silicon-containing stereo-center silicon cyclohexenone skeleton borane and preparation method and application thereof | 杭州师范大学 | 2026-03-31 | — | — | CN | disclosed |