⚠ 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 SCHEMBL28061950 | 0.79 | CA1 (0.33) | — | |
| Acetic Acid SCHEMBL26656964 | 0.77 | FFAR3 (0.44) | — | |
| Oxalic Acid SCHEMBL28782730 | 0.77 | KDM4E (0.31) | — | |
| Water SCHEMBL28147461 | 0.75 | — | — | |
| SCHEMBL28426033 | 0.75 | — | — | |
| SCHEMBL29740680 | 0.74 | — | — | |
| Phosphoric Acid SCHEMBL28626338 | 0.74 | CA2 (0.32) | — | |
| Formic Acid SCHEMBL27792590 | 0.74 | — | — | |
| SCHEMBL27682701 | 0.74 | — | — | |
| SCHEMBL28152620 | 0.72 | CA2 (0.32) | — |
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-116376120-A | Degradable starch foaming buffer material and preparation method thereof | 中国科学院长春应用化学研究所 | 2023-07-04 | — | — | CN | claimed |