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 | |
|---|---|---|---|---|
| SCHEMBL3631072 | 0.97 | — | — | |
| SCHEMBL6046915 | 0.81 | ALDH1A1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL4465859 | 0.76 | — | — | |
| Bromide SCHEMBL7034152 | 0.75 | ALDH1A1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL4608000 | 0.74 | CA12 (0.39) | — | |
| SCHEMBL3630263 | 0.73 | — | — | |
| SCHEMBL3628353 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL25407559 | 0.71 | CA12 (0.36) | — | |
| Bromide SCHEMBL3053670 | 0.71 | — | — | |
| Fluoride Ion SCHEMBL7027242 | 0.71 | — | — |
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-20030163000-A1 | Halogen exchange reactions and catalysts therefor | CHORDIP LTD. (GB) | 2003-08-28 | — | — | US | disclosed |
| EP-1288196-A1 | Process for the preparation of organo guanidinium salts | Chordip Ltd. (GB) | 2003-03-05 | — | — | EP | disclosed |