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 SCHEMBL18663162 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL18663119 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL18663170 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL18663178 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL18663180 | 0.84 | — | — | |
| Bromide SCHEMBL18663127 | 0.81 | — | — | |
| Iodide SCHEMBL18663244 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL18663237 | 0.81 | — | — | |
| SCHEMBL18663204 | 0.81 | — | — | |
| SCHEMBL18663186 | 0.78 | — | — |
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-9932423-B2 | Hydrogenation of annulated cyclopentadienyl metal complexes and metallocene catalysts comprising such | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2018-04-03 | — | — | US | disclosed |
| US-20170088643-A1 | HYDROGENATION OF ANNULATED CYCLOPENTADIENYL METAL COMPLEXES AND METALLOCENE CATALYSTS COMPRISING SUCH | UNIVATION TECHNOLOGIES, LLC | 2017-03-30 | — | — | US | disclosed |