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 SCHEMBL5446449 | 0.98 | BCHE (0.32) | — | |
| SCHEMBL5441442 | 0.95 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL5451632 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL5442083 | 0.88 | CDK5 (0.31) | — | |
| Bromide SCHEMBL5451613 | 0.86 | CHKA (0.33) | — | |
| SCHEMBL5444936 | 0.83 | CDK5 (0.30) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL5450101 | 0.78 | ACHE (0.34) | — | |
| Hydrochloric Acid SCHEMBL5450882 | 0.73 | ALDH1A1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL5448168 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL5444909 | 0.70 | KDM4E (0.32) | — |
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-20070021615-A1 | Imidazolium salts that can be immobilized | MERCK PATENT GMBH (DE) | 2007-01-25 | — | — | US | claimed |
| CN-1835957-A | Imidazolium salts that can be immobilized | MERCK PATENT GMBH (DE) | 2006-09-20 | — | — | CN | claimed |
| US-20070021615-A1 | Imidazolium salts that can be immobilized | MERCK PATENT GMBH (DE) | 2007-01-25 | — | — | US | disclosed |
| CN-1835957-A | Imidazolium salts that can be immobilized | MERCK PATENT GMBH (DE) | 2006-09-20 | — | — | CN | disclosed |