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 SCHEMBL396285 | 0.76 | PNMT (0.40) | — | |
| Iodide SCHEMBL7927985 | 0.73 | PNMT (0.40) | — | |
| Bromide SCHEMBL7929247 | 0.73 | PNMT (0.40) | — | |
| Hydrochloric Acid SCHEMBL7109356 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL25337616 | 0.71 | PNMT (0.41) | — | |
| Hydrochloric Acid SCHEMBL7108782 | 0.71 | SRD5A2 (0.30) | — | |
| SCHEMBL6256393 | 0.70 | PGR (0.43) | — | |
| Hydrochloric Acid SCHEMBL29138964 | 0.69 | PNMT (0.37) | — | |
| SCHEMBL30103698 | 0.69 | PGR (0.42) | — | |
| SCHEMBL29177673 | 0.69 | PGR (0.42) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0908435-B1 | Method for purifying transition metal compounds | SUMITOMO CHEMICAL CO (JP) | 2003-10-01 | — | — | EP | disclosed |
| US-6107502-A | Method for purifying transition metal compound and method for producing the same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2000-08-22 | — | — | US | disclosed |
| EP-0908435-A1 | Method for purifying transition metal compound and method for producing the same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1999-04-14 | — | — | EP | disclosed |