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 SCHEMBL8942155 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL8942488 | 0.95 | — | — | |
| SCHEMBL23804111 | 0.95 | — | — | |
| Bromide SCHEMBL28950320 | 0.92 | — | — | |
| SCHEMBL8849876 | 0.87 | — | — | |
| Sulfuric Acid SCHEMBL8942329 | 0.80 | CA12 (0.30) | — | |
| Hydrochloric Acid SCHEMBL8849872 | 0.78 | — | — | |
| Sulfuric Acid SCHEMBL8942331 | 0.78 | MEN1 (0.31) | — | |
| Acetic Acid SCHEMBL8942398 | 0.78 | CA1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL8850304 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5516932-A | Halogenated cinnamic acids and esters thereof, processes for the preparation thereof and halogenated aryldiazonium salts | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-05-14 | — | — | US | disclosed |
| EP-0606058-A2 | Halogenated cinnamic acids and their esters as well as processes for their preparation and halogenated aryldiazonium salts | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-07-13 | — | — | EP | disclosed |