⚠ 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 | |
|---|---|---|---|---|
| Formic Acid SCHEMBL1427817 | 0.94 | — | — | |
| Formic Acid SCHEMBL21145260 | 0.89 | — | — | |
| Formic Acid SCHEMBL11077584 | 0.89 | TRPA1 (0.31) | — | |
| Formic Acid SCHEMBL27728507 | 0.89 | — | — | |
| Formic Acid SCHEMBL11117631 | 0.89 | — | — | |
| Formic Acid SCHEMBL27300035 | 0.89 | — | — | |
| Formic Acid SCHEMBL357895 | 0.88 | — | — | |
| Formic Acid SCHEMBL11119020 | 0.84 | — | — | |
| Formic Acid SCHEMBL3635457 | 0.82 | — | — | |
| Formic Acid SCHEMBL28689258 | 0.82 | ALDH1A1 (0.33) | — |
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-104247712-B | A kind of pyraclostrobin-containing and Mancozeb dispersible oil-suspending agent | SHANGGEZHILU BIOSCIENCES CO., LTD., SHAANXI (CN) | 2016-11-30 | — | — | CN | disclosed |