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 SCHEMBL812668 | 0.76 | HTR2A (0.40) | — | |
| Hydrochloric Acid SCHEMBL6908577 | 0.75 | HTR2A (0.39) | — | |
| Fluoride Ion SCHEMBL5183634 | 0.73 | HTR2A (0.40) | — | |
| Bromide SCHEMBL6440191 | 0.73 | HTR2A (0.45) | — | |
| SCHEMBL7107703 | 0.71 | HTR2A (0.36) | — | |
| Ethylbenzene SCHEMBL6930967 | 0.70 | TP53 (0.47) | — | |
| Hydrochloric Acid SCHEMBL6897360 | 0.69 | HTR6 (0.33) | — | |
| Phenol SCHEMBL4827336 | 0.69 | HTR6 (0.38) | — | |
| Hydrochloric Acid SCHEMBL8681777 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL8681786 | 0.68 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1373334-A1 | ETHYLENE POLYMERIZATION PROCESS | Equistar Chemicals, LP (US) | 2004-01-02 | — | — | EP | disclosed |
| US-6664349-B2 | Using coordination polymerization catalyst | EQUISTAR CHEMICALS, LP | 2003-12-16 | — | — | US | disclosed |
| US-6583240-B2 | In the presence of an activator and a Group 4 metal catalyst having at least one boraaryl ligand; wherein the catalyst is alkylated iwth triisobutyl aluminum; polyethylene with higher long chain branching index (LCBI) | EQUISTAR CHEMICALS, LP | 2003-06-24 | — | — | US | disclosed |
| US-20020177675-A1 | Ethylene polymerization process | EQUISTAR CHEMICALS, LP | 2002-11-28 | — | — | US | disclosed |
| WO-2002094888-A1 | ETHYLENE POLYMERIZATION PROCESS | EQUISTAR CHEMICALS, LP (US) | 2002-11-28 | — | — | WO | disclosed |
| US-20020161144-A1 | Ethylene polymerization process | EQUISTAR CHEMICALS, LP | 2002-10-31 | — | — | US | disclosed |
| WO-2002079277-A1 | ETHYLENE POLYMERIZATION PROCESS | EQUISTAR CHEMICALS, LP (US) | 2002-10-10 | — | — | WO | disclosed |