⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10339052 | 0.95 | — | — | |
| SCHEMBL202901 | 0.95 | — | — | |
| SCHEMBL1696997 | 0.91 | CA1 (0.40) | — | |
| Hydrogen Peroxide SCHEMBL4453406 | 0.91 | — | — | |
| SCHEMBL15035 | 0.91 | — | — | |
| SCHEMBL1436784 | 0.87 | — | — | |
| Bicarbonate SCHEMBL29001600 | 0.87 | CA1 (0.42) | — | |
| Bicarbonate SCHEMBL5709826 | 0.86 | CA1 (0.50) | — | |
| Water SCHEMBL4437080 | 0.86 | CA1 (0.36) | — | |
| SCHEMBL15054827 | 0.86 | — | — |
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-116328781-A | Supported copper bismuth catalyst for synthesizing 1, 4-butynediol and preparation method thereof | 西安凯立新材料股份有限公司 | 2023-06-27 | — | — | CN | disclosed |