⚠ 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 | |
|---|---|---|---|---|
| Carbamic Acid SCHEMBL11588805 | 0.90 | — | — | |
| Acetamide SCHEMBL28655115 | 0.90 | ALDH1A1 (0.62) | — | |
| SCHEMBL10903093 | 0.88 | ALDH1A1 (0.59) | — | |
| Bicarbonate SCHEMBL3833313 | 0.87 | ALDH1A1 (0.67) | — | |
| Bicarbonate SCHEMBL8854028 | 0.87 | — | — | |
| Acetic Acid SCHEMBL21227 | 0.84 | ALDH1A1 (0.62) | — | |
| Acetic Acid SCHEMBL8817349 | 0.84 | — | — | |
| Acetic Acid SCHEMBL12474237 | 0.84 | ALDH1A1 (0.62) | — | |
| Acetic Acid SCHEMBL28858092 | 0.84 | ALDH1A1 (0.62) | — | |
| Acetic Acid SCHEMBL6150069 | 0.84 | ALDH1A1 (0.62) | — |
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-104988139-B | The method for cultivating the cotton of resisting verticillium | 中国科学院微生物研究所 | 2018-02-06 | — | — | CN | disclosed |