⚠ 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL9638497 | 0.91 | CA1 (0.46) | — | |
| Bicarbonate SCHEMBL5912779 | 0.91 | CA1 (0.46) | — | |
| Sulfurous Acid SCHEMBL27751462 | 0.89 | — | — | |
| Sulfurous Acid SCHEMBL27950495 | 0.89 | — | — | |
| Sulfurous Acid SCHEMBL27336542 | 0.89 | — | — | |
| Sulfurous Acid SCHEMBL11718648 | 0.89 | — | — | |
| Sulfurous Acid SCHEMBL248299 | 0.88 | — | — | |
| Sulfurous Acid SCHEMBL27537951 | 0.84 | CA1 (0.33) | — | |
| Sulfurous Acid SCHEMBL11223179 | 0.82 | — | — | |
| Sulfurous Acid SCHEMBL29001039 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109577085-A | A kind of preparation method and applications of water-resistant type paper surface sizing agent | 上海东升新材料有限公司 | 2019-04-05 | — | — | CN | claimed |
| CN-109577085-A | A kind of preparation method and applications of water-resistant type paper surface sizing agent | 上海东升新材料有限公司 | 2019-04-05 | — | — | CN | disclosed |
| CN-107974831-A | Polypropylene non-woven fabric that a kind of calcium alginate is modified and preparation method thereof | 中国石油化工股份有限公司 | 2018-05-01 | — | — | CN | disclosed |