⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL116908 | 0.97 | — | — | |
| Fluoromethane SCHEMBL28669129 | 0.91 | — | — | |
| SCHEMBL8503382 | 0.88 | — | — | |
| SCHEMBL123281 | 0.84 | — | — | |
| Tetradecane SCHEMBL28465454 | 0.82 | TSHR (0.48) | — | |
| SCHEMBL18222485 | 0.81 | — | — | |
| SCHEMBL235670 | 0.78 | — | — | |
| SCHEMBL8776595 | 0.73 | TSHR (0.35) | — | |
| SCHEMBL9817175 | 0.73 | — | — | |
| SCHEMBL9081479 | 0.73 | — | — |
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-113578389-A | Preparation method of fluorine-containing catalyst for hydrochlorination of acetylene | 河北美邦工程科技股份有限公司 | 2021-11-02 | — | — | CN | disclosed |
| CN-113578390-A | Preparation method of low-noble metal catalyst for acetylene hydrochlorination | 河北美邦工程科技股份有限公司 | 2021-11-02 | — | — | CN | disclosed |