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 SCHEMBL11069525 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL1874892 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL7899839 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL28260350 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL160460 | 0.82 | — | — | |
| Iodide SCHEMBL6131651 | 0.82 | — | — | |
| Iodide SCHEMBL4656335 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL7176200 | 0.82 | CA2 (0.33) | — | |
| Iodide SCHEMBL9131243 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL9453842 | 0.82 | CA2 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110573493-A | Method for preparing iomesol | 大塚制药株式会社 | 2019-12-13 | — | — | CN | disclosed |
| US-5603916-A | 3 5-bis alkanoyl amino-2 4 6-triiodobenzyl esters | NANO SYSTEMS L.L.C. (US) | 1997-02-18 | — | — | US | disclosed |
| WO-1996037236-A1 | DIAGNOSTIC IMAGING X-RAY CONTRAST AGENTS | NANOSYSTEMS L.L.C. (US) | 1996-11-28 | — | — | WO | disclosed |
| WO-1996037238-A1 | 3,5-BIS[ALKANOYL AMINO]-2,4,6-TRIIODOBENZYL ESTERS | NANOSYSTEMS L.L.C. (US) | 1996-11-28 | — | — | WO | disclosed |
| US-5573750-A | Diagnostic imaging x-ray contrast agents | NANOSYSTEMS L.L.C. (US) | 1996-11-12 | — | — | US | disclosed |