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 SCHEMBL22028146 | 0.95 | — | — | |
| Bromide SCHEMBL27359012 | 0.90 | — | — | |
| Iodide SCHEMBL27117633 | 0.90 | — | — | |
| SCHEMBL28999945 | 0.79 | — | — | |
| SCHEMBL28765624 | 0.79 | — | — | |
| Tetrahydrofuran SCHEMBL28674416 | 0.74 | ALDH1A1 (0.44) | — | |
| Hydrochloric Acid SCHEMBL28156322 | 0.68 | — | — | |
| Bromide SCHEMBL29012710 | 0.64 | — | — | |
| Bromide SCHEMBL25362269 | 0.64 | — | — | |
| Bromide SCHEMBL21980972 | 0.61 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100548950-C | Process for preparing esters and ethers of probucol and derivatives thereof | ATHEROGENICS INC (US) | 2009-10-14 | — | — | CN | claimed |
| CN-1759084-A | Process for preparing esters and ethers of probucol and derivatives thereof | ATHEROGENICS INC (US) | 2006-04-12 | — | — | CN | claimed |
| EP-3892278-B1 | CYCLOALKANE-1,3-DIAMINE DERIVATIVE | DAIICHI SANKYO CO LTD (JP) | 2024-02-28 | — | — | EP | disclosed |
| US-20230074669-A1 | CYCLOALKANE-1,3-DIAMINE DERIVATIVE | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2023-03-09 | — | — | US | disclosed |
| US-20230030720-A1 | CYCLOALKANE-1,3-DIAMINE DERIVATIVE | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2023-02-02 | — | — | US | disclosed |
| US-11236106-B2 | Cycloalkane-1,3-diamine derivative | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2022-02-01 | — | — | US | disclosed |
| EP-3892278-A1 | CYCLOALKANE-1,3-DIAMINE DERIVATIVE | Daiichi Sankyo Company, Limited (JP) | 2021-10-13 | — | — | EP | disclosed |
| CN-113164481-A | Cycloalkane-1, 3-diamine derivatives | 第一三共株式会社 | 2021-07-23 | — | — | CN | disclosed |
| CN-101646643-B | Method for producing cross-coupled compound | KAO CORP | 2013-06-05 | — | — | CN | disclosed |
| CN-101830863-B | Method and intermediate compound for preparing ligand of PPAR (Peroxisome Proliferator-Activated Receptor) delta | SEOUL NAT UNIV IND FOUNDATION | 2011-06-22 | — | — | CN | disclosed |
| CN-101193876-B | Process for preparing ligands for PPAR δ and intermediate compounds useful for preparing the ligands | SEOUL NAT UNIV IND FOUNDATION | 2011-05-11 | — | — | CN | disclosed |
| CN-101830863-A | The method and the intermediate compound that is used to prepare this part of the part of preparation PPAR δ | SEOUL NAT UNIV IND FOUNDATION | 2010-09-15 | — | — | CN | disclosed |
| CN-101646643-A | Method for producing cross-coupled compound | KAO CORP JP | 2010-02-10 | — | — | CN | disclosed |
| CN-100548950-C | Process for preparing esters and ethers of probucol and derivatives thereof | ATHEROGENICS INC (US) | 2009-10-14 | — | — | CN | disclosed |
| CN-101391972-A | Process of preparing esters and ethers of probucol and derivatives thereof | ATHEROGENICS INC (US) | 2009-03-25 | — | — | CN | disclosed |
| CN-101193876-A | Process for preparing ligands for PPAR δ and intermediate compounds useful for preparing the ligands | JIANG XIANZHONG (KR) | 2008-06-04 | — | — | CN | disclosed |
| CN-1759084-A | Process for preparing esters and ethers of probucol and derivatives thereof | ATHEROGENICS INC (US) | 2006-04-12 | — | — | CN | disclosed |