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 | |
|---|---|---|---|---|
| SCHEMBL4899500 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL8014952 | 0.78 | — | — | |
| SCHEMBL1246187 | 0.76 | — | — | |
| SCHEMBL4904549 | 0.75 | — | — | |
| Bromide SCHEMBL29054557 | 0.74 | — | — | |
| Iodide SCHEMBL876465 | 0.74 | — | — | |
| Iodide SCHEMBL6886351 | 0.73 | — | — | |
| Chloromethane SCHEMBL9721422 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL8510963 | 0.72 | — | — | |
| SCHEMBL4896758 | 0.71 | OPRM1 (0.31) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011112514-A1 | BUFFERED IONIC LIQUIDS FOR OLEFIN DIMERIZATION | CONOCOPHILLIPS COMPANY (US) | 2011-09-15 | — | — | WO | claimed |
| WO-1998047616-A1 | CATALYST COMPRISING A BUFFERED IONIC LIQUID AND HYDROCARBON CONVERSION PROCESS, E.G. OLIGOMERISATION | BP CHEMICALS LIMITED (GB) | 1998-10-29 | — | — | WO | claimed |
| EP-2964572-A1 | GRAPHENE-BASED FILMS | Monash University (AU) | 2016-01-13 | — | — | EP | disclosed |
| WO-2014134663-A1 | GRAPHENE-BASED FILMS | MONASH UNIVERSITY (AU) | 2014-09-12 | — | — | WO | disclosed |
| EP-2593403-A1 | MATERIAL AND APPLICATIONS THEREFOR | Monash University (AU) | 2013-05-22 | — | — | EP | disclosed |
| WO-2012006657-A1 | MATERIAL AND APPLICATIONS THEREFOR | MONASH UNIVERSITY (AU) | 2012-01-19 | — | — | WO | disclosed |
| WO-2011112514-A1 | BUFFERED IONIC LIQUIDS FOR OLEFIN DIMERIZATION | CONOCOPHILLIPS COMPANY (US) | 2011-09-15 | — | — | WO | disclosed |
| EP-1613599-B8 | A PROCESS FOR THE PREPARATION OF 5-(HALOACETYL)-8-(SUBSTITUTED OXY)-(1H)-QUINOLIN-2-ONES | NOVARTIS AG (CH) | 2011-06-22 | — | — | EP | disclosed |
| EP-1791820-A2 | ENANTIOSELECTIVE PREPARATION OF QUINOLINE DERIVATIVES | Novartis AG (CH) | 2007-06-06 | — | — | EP | disclosed |
| EP-1613599-A1 | A PROCESS FOR THE PREPARATION OF 5-(HALOACETYL)-8-(SUBSTITUTED OXY)-(1H)-QUINOLIN-2-ONES | Novartis AG (CH) | 2006-01-11 | — | — | EP | disclosed |
| WO-2005123684-A2 | ENANTIOSELEKTIVE PREPARATION OF QUINOLINE DERIVATIVE | NOVARTIS AG (CH) | 2005-12-29 | — | — | WO | disclosed |
| WO-2004087668-A1 | A PROCESS FOR THE PREPARATION OF 5-(HALOACETYL)-8-(SUBSTITUTED OXY)-(1H)-QUINOLIN-2-ONES | NOVARTIS AG (CH) | 2004-10-14 | — | — | WO | disclosed |
| WO-1995021872-A1 | IONIC LIQUIDS | BP CHEMICALS LIMITED (GB) | 1995-08-17 | — | — | WO | disclosed |