⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1331044 | 0.74 | — | — | |
| SCHEMBL9418842 | 0.74 | — | — | |
| SCHEMBL4200 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL7607020 | 0.70 | CA1 (0.36) | — | |
| SCHEMBL3887603 | 0.70 | — | — | |
| Bicarbonate SCHEMBL18108827 | 0.70 | — | — | |
| SCHEMBL2838353 | 0.70 | — | — | |
| Bicarbonate SCHEMBL29282032 | 0.70 | CA1 (0.50) | — | |
| Hydrochloric Acid SCHEMBL10411964 | 0.70 | CA1 (0.36) | — | |
| SCHEMBL11006633 | 0.70 | CA1 (0.36) | — |
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-108424367-B | Method for preparing propiolic acid and derivatives thereof under mild condition | 中国科学院化学研究所 | 2020-08-18 | — | — | CN | disclosed |