⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18867943 | 0.75 | — | — | |
| SCHEMBL12500 | 0.75 | — | — | |
| SCHEMBL31633797 | 0.75 | — | — | |
| SCHEMBL17552638 | 0.72 | — | — | |
| SCHEMBL9139591 | 0.72 | NISCH (0.52) | — | |
| SCHEMBL30377758 | 0.72 | NISCH (0.52) | — | |
| SCHEMBL29367748 | 0.72 | — | — | |
| SCHEMBL60954 | 0.72 | — | — | |
| SCHEMBL6424735 | 0.72 | — | — | |
| Bromide SCHEMBL28030872 | 0.70 | ALDH1A1 (0.46) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114920768-A | Preparation method and application of tert-butyl substituted dihydrosilane and chiral silane | 深圳湾实验室 | 2022-08-19 | — | — | CN | claimed |
| CN-114920768-A | Preparation method and application of tert-butyl substituted dihydrosilane and chiral silane | 深圳湾实验室 | 2022-08-19 | — | — | CN | disclosed |