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 SCHEMBL646903 | 0.73 | — | — | |
| SCHEMBL4576922 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL7499521 | 0.67 | — | — | |
| SCHEMBL4576378 | 0.65 | — | — | |
| Fluoride Ion SCHEMBL1131044 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL7502221 | 0.65 | — | — | |
| Fluoride Ion SCHEMBL1131157 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL124211 | 0.62 | — | — | |
| Fluoride Ion SCHEMBL1130813 | 0.61 | — | — | |
| Fluoride Ion SCHEMBL1131043 | 0.61 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1112277-A4 | SULFONYL CATALYSTS AND METHOD OF USING THE SAME | EQUISTAR CHEM LP (US) | 2002-05-29 | — | — | EP | disclosed |
| EP-1112277-A1 | SULFONYL CATALYSTS AND METHOD OF USING THE SAME | Equistar Chemicals, LP (US) | 2001-07-04 | — | — | EP | disclosed |
| WO-2000008037-A1 | SULFONYL CATALYSTS AND METHOD OF USING THE SAME | EQUISTAR CHEMICALS, L.P. (US) | 2000-02-17 | — | — | WO | disclosed |
| US-6008394-A | METALLOCENE CATALYST SYSTEM COMPRISING A POLYMERIZATION CATALYST WHICH CONTAINS AT LEAST ONE POLYMERIZATION-STABLE ANIONIC ANCILLARY LIGAND DERIVATIZED WITH A SULFONYL GROUP AND A METAL FROM 3 TO 7 GROUP OF PERIODIC TABLE | ARCO CHEMICALS TECHNOLOGY, L.P. (US) | 1999-12-28 | — | — | US | disclosed |