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 | |
|---|---|---|---|---|
| SCHEMBL535817 | 0.87 | KCNH2 (0.36) | — | |
| SCHEMBL3331761 | 0.80 | KCNH2 (0.40) | — | |
| SCHEMBL535597 | 0.80 | KCNH2 (0.37) | — | |
| Sulfuric Acid SCHEMBL62246 | 0.78 | CA2 (0.33) | — | |
| SCHEMBL366057 | 0.77 | KCNH2 (0.33) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL20157 | 0.77 | KCNH2 (0.47) | — | |
| Hydrochloric Acid SCHEMBL193045 | 0.76 | HRH3 (0.33) | — | |
| SCHEMBL3646751 | 0.75 | KCNH2 (0.43) | — | |
| SCHEMBL3646245 | 0.75 | KCNH2 (0.43) | — | |
| SCHEMBL3646933 | 0.75 | KCNH2 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2414476-A1 | IONIC COMPOUNDS IN LITHIUM BROMIDE/WATER ABSORPTION CYCLE SYSTEMS | E. I. du Pont de Nemours and Company (US) | 2012-02-08 | — | — | EP | disclosed |
| WO-2010117836-A1 | IONIC COMPOUNDS IN LITHIUM BROMIDE/WATER ABSORPTION CYCLE SYSTEMS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2010-10-14 | — | — | WO | disclosed |