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 | |
|---|---|---|---|---|
| Bromide SCHEMBL5436940 | 0.98 | — | — | |
| SCHEMBL5447678 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL5453284 | 0.88 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL5455688 | 0.88 | — | — | |
| Bromide SCHEMBL5441401 | 0.85 | — | — | |
| SCHEMBL5458324 | 0.82 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL5446145 | 0.76 | ACHE (0.33) | — | |
| SCHEMBL1947979 | 0.73 | CCR5 (0.36) | — | |
| Hydrochloric Acid SCHEMBL5457184 | 0.73 | — | — | |
| SCHEMBL16196870 | 0.72 | L3MBTL1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20070021615-A1 | Imidazolium salts that can be immobilized | MERCK PATENT GMBH (DE) | 2007-01-25 | — | — | US | claimed |
| US-20070021615-A1 | Imidazolium salts that can be immobilized | MERCK PATENT GMBH (DE) | 2007-01-25 | — | — | US | disclosed |