Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL534853 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL5385230 | 0.96 | — | — | |
| SCHEMBL818966 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL1156276 | 0.95 | — | — | |
| Iodide SCHEMBL670623 | 0.95 | — | — | |
| SCHEMBL2827554 | 0.90 | — | — | |
| Bicarbonate SCHEMBL29742345 | 0.85 | KDM4E (0.30) | — | |
| SCHEMBL325542 | 0.85 | ALDH1A1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL944563 | 0.84 | L3MBTL1 (0.31) | — | |
| SCHEMBL17264257 | 0.82 | CYP3A4 (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-110818545-B | Method for preparing substituted aryl ketone by ketone arylation | 上海化工研究院有限公司 | 2022-12-09 | — | — | CN | disclosed |