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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8406524 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL8409828 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL8776696 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL8776713 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL18663130 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL18663163 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL18663239 | 0.67 | — | — | |
| SCHEMBL8409145 | 0.65 | TRPA1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL18663191 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL7097420 | 0.64 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5929266-A | ZIRCONIUM, HAFNIUM, TITANIUM CYCLOPENTADIENE COMPOUNDS USEFUL IN ASYMMETRIC SYNTHESIS | ZENECA LIMITED (GB) | 1999-07-27 | — | — | US | disclosed |
| EP-0809647-A1 | CHIRAL ORGANOMETALLIC COMPOUNDS | ZENECA LIMITED (GB) | 1997-12-03 | — | — | EP | disclosed |
| WO-1996025420-A1 | CHIRAL ORGANOMETALLIC COMPOUNDS | ZENECA LIMITED (GB) | 1996-08-22 | — | — | WO | disclosed |