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 | |
|---|---|---|---|---|
| SCHEMBL17367643 | 0.82 | ALDH1A1 (0.36) | — | |
| SCHEMBL4578379 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL7035333 | 0.76 | — | — | |
| SCHEMBL13385232 | 0.75 | — | — | |
| SCHEMBL3631072 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL8719778 | 0.66 | EPHX2 (0.30) | — | |
| SCHEMBL14032813 | 0.65 | EHMT2 (0.32) | — | |
| Hydrochloric Acid SCHEMBL1184026 | 0.64 | — | — | |
| SCHEMBL6046915 | 0.63 | ALDH1A1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL25406791 | 0.62 | CA12 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090253905-A1 | PROCESS FOR THE PREPARATION OF ONIUM SALTS WITH ALKYL- OR ARYLSULFONATE ANIONS OR ALKYL- OR ARYLCARBOXYLATE ANIONS HAVING A LOW HALIDE CONTENT | MERCK PATENT GMBH (DE) | 2009-10-08 | — | — | US | disclosed |
| EP-1824827-B1 | METHOD FOR PRODUCING ONIUM SALTS COMPRISING ALKYL ANIONS OR ARYL SULFONATE ANIONS OR ALKYL ANIONS OR ARYL CARBOXYLATE ANIONS HAVING A LOW HALIDE CONTENT | MERCK PATENT GMBH (DE) | 2008-09-17 | — | — | EP | disclosed |
| EP-1824827-A1 | METHOD FOR PRODUCING ONIUM SALTS COMPRISING ALKYL ANIONS OR ARYL SULFONATE ANIONS OR ALKYL ANIONS OR ARYL CARBOXYLATE ANIONS HAVING A LOW HALIDE CONTENT | Merck Patent GmbH (DE) | 2007-08-29 | — | — | EP | disclosed |
| WO-2006063656-A1 | METHOD FOR PRODUCING ONIUM SALTS COMPRISING ALKYL ANIONS OR ARYL SULFONATE ANIONS OR ALKYL ANIONS OR ARYL CARBOXYLATE ANIONS HAVING A LOW HALIDE CONTENT | MERCK PATENT GMBH (DE) | 2006-06-22 | — | — | WO | disclosed |