⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28652907 | 0.98 | — | — | |
| SCHEMBL553998 | 0.85 | — | — | |
| SCHEMBL7187117 | 0.84 | — | — | |
| Propane SCHEMBL27576419 | 0.83 | — | — | |
| SCHEMBL27578758 | 0.82 | ALDH1A1 (0.34) | — | |
| SCHEMBL27576413 | 0.82 | ALDH1A1 (0.34) | — | |
| SCHEMBL28364120 | 0.82 | — | — | |
| SCHEMBL5671674 | 0.82 | — | — | |
| SCHEMBL30061284 | 0.82 | — | — | |
| SCHEMBL16263898 | 0.82 | — | — |
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-113563375-A | Synthesis of alpha-type silane coupling agent containing asymmetric disulfide structure | 福建佰易科技有限公司 | 2021-10-29 | — | — | CN | disclosed |