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 | |
|---|---|---|---|---|
| SCHEMBL12738651 | 0.99 | — | — | |
| SCHEMBL6884754 | 0.83 | ELANE (0.30) | — | |
| Hydrochloric Acid SCHEMBL3919044 | 0.82 | — | — | |
| SCHEMBL2141054 | 0.81 | RXRA (0.32) | — | |
| SCHEMBL2136799 | 0.76 | HPGD (0.40) | — | |
| SCHEMBL12738654 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL7071712 | 0.74 | — | — | |
| Iodide SCHEMBL2136222 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL7070810 | 0.74 | — | — | |
| SCHEMBL7066888 | 0.73 | ELANE (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7902368-B2 | Cationic substituted 2,2,6,6-tetraalkylpiperidinyl alkoxyamines | BASF SE (DE) | 2011-03-08 | — | — | US | disclosed |
| US-20090306382-A1 | CATIONIC ALKOXYAMINES | MUEHLEBACH ANDREAS | 2009-12-10 | — | — | US | disclosed |
| EP-1515950-B1 | CATIONIC ALKOXYAMINES AND THEIR USE IN PRODUCING NANO PARTICLES FROM NATURAL OR SYNTHETIC CLAYS | BASF SE (DE) | 2009-12-02 | — | — | EP | disclosed |
| US-7595359-B2 | Organoclays; coatings, sealants, caulks, adhesives and plastic additives | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 2009-09-29 | — | — | US | disclosed |
| US-20050215691-A1 | Cationic alkoxyamines and their use in producing nano particles from natural or synthetic clays | BASF SE (DE) | 2005-09-29 | — | — | US | disclosed |
| EP-1515950-A1 | CATIONIC ALKOXYAMINES AND THEIR USE IN PRODUCING NANO PARTICLES FROM NATURAL OR SYNTHETIC CLAYS | Ciba SC Holding AG (CH) | 2005-03-23 | — | — | EP | disclosed |
| WO-2004000809-A1 | CATIONIC ALKOXYAMINES AND THEIR USE IN PRODUCING NANO PARTICLES FROM NATURAL OR SYNTHETIC CLAYS | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2003-12-31 | — | — | WO | disclosed |