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 | |
|---|---|---|---|---|
| SCHEMBL27121 | 0.94 | — | — | |
| SCHEMBL12501988 | 0.94 | CA12 (0.50) | — | |
| Hydrochloric Acid SCHEMBL3387948 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL4717644 | 0.90 | — | — | |
| Ethylenediamine SCHEMBL20582708 | 0.90 | CA12 (0.47) | — | |
| Ammonia Solution, Strong SCHEMBL16346386 | 0.90 | — | — | |
| SCHEMBL7886703 | 0.90 | — | — | |
| SCHEMBL4766952 | 0.90 | — | — | |
| SCHEMBL1536270 | 0.88 | CA12 (0.45) | — | |
| SCHEMBL25239603 | 0.85 | CA12 (0.59) | — |
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-5922640-A | COMPRISING A POROUS INORGANIC CARRIER, A COMPLEX OF NITROGEN CONTAINING COMPOUND AND A COPPER HALIDE, HIGH SELECTIVITY, EASILY DESORBED, RECOVERY BY TREATING WITH A REDUCING AGENT | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 1999-07-13 | — | — | US | disclosed |
| EP-0792684-A2 | Novel adsorbent for carbon monoxide and method | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 1997-09-03 | — | — | EP | disclosed |