⚠ 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 | |
|---|---|---|---|---|
| Cyanamide SCHEMBL16634236 | 1.00 | — | — | |
| Acetic Acid SCHEMBL27991585 | 0.89 | — | — | |
| Acetonitrile SCHEMBL29208975 | 0.89 | — | — | |
| SCHEMBL27646238 | 0.89 | — | — | |
| SCHEMBL29024457 | 0.89 | — | — | |
| Water SCHEMBL23500113 | 0.89 | — | — | |
| Thiocyanic Acid SCHEMBL28800985 | 0.88 | — | — | |
| Thiocyanic Acid SCHEMBL2761002 | 0.88 | — | — | |
| SCHEMBL28608551 | 0.88 | — | — | |
| SCHEMBL28481044 | 0.88 | — | — |
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-120083062-A | Cellulose-based ion thermoelectric fiber and preparation method thereof | 东华大学 | 2025-06-03 | — | — | CN | disclosed |
| CN-110753723-A | Expandable composition comprising cyclic carbonate and base | 汉高股份有限及两合公司 | 2020-02-04 | — | — | CN | disclosed |