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 SCHEMBL29565043 | 0.71 | CYP19A1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL29612300 | 0.71 | ALDH1A1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL29612264 | 0.69 | UGT2B17 (0.31) | — | |
| Hydrochloric Acid SCHEMBL29612274 | 0.68 | GABRA1 (0.36) | — | |
| Methylsulfanylmethane SCHEMBL1044394 | 0.67 | — | — | |
| SCHEMBL5836582 | 0.67 | — | — | |
| Fluoride Ion SCHEMBL1131352 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL30525909 | 0.66 | — | — | |
| SCHEMBL7805591 | 0.65 | — | — | |
| SCHEMBL3156081 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2915824-B1 | METALLOCENE LIGANDS, METALLOCENE COMPOUNDS AND METALLOCENE CATALYSTS, THEIR SYNTHESIS AND THEIR USE FOR THE POLYMERIZATION OF OLEFINS | LUMMUS NOVOLEN TECHNOLOGY GMBH (DE) | 2022-05-25 | — | — | EP | claimed |
| EP-2915824-B1 | METALLOCENE LIGANDS, METALLOCENE COMPOUNDS AND METALLOCENE CATALYSTS, THEIR SYNTHESIS AND THEIR USE FOR THE POLYMERIZATION OF OLEFINS | LUMMUS NOVOLEN TECHNOLOGY GMBH (DE) | 2022-05-25 | — | — | EP | disclosed |