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 | |
|---|---|---|---|---|
| SCHEMBL6659778 | 0.94 | SIGMAR1 (0.30) | — | |
| SCHEMBL19367684 | 0.94 | SIGMAR1 (0.30) | — | |
| SCHEMBL22210750 | 0.92 | SIGMAR1 (0.33) | — | |
| SCHEMBL6665913 | 0.87 | — | — | |
| SCHEMBL24316208 | 0.84 | SIGMAR1 (0.30) | — | |
| SCHEMBL20063377 | 0.84 | SIGMAR1 (0.30) | — | |
| SCHEMBL10267303 | 0.79 | EPHX1 (0.39) | — | |
| SCHEMBL20063350 | 0.79 | ALDH1A1 (0.40) | — | |
| SCHEMBL18774758 | 0.77 | CA1 (0.39) | — | |
| SCHEMBL20976450 | 0.77 | CA1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1160267-B1 | CATALYST FOR OXIDATIVE POLYMERIZATION OF FLUOROPHENOL, METHOD OF OXIDATIVE POLYMERIZATION OF FLUOROPHENOL, AND POLY(OXYFLUOROPHENYLENE) DERIVATIVE | JAPAN SCIENCE & TECH CORP (JP) | 2004-08-04 | — | — | EP | disclosed |