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 | |
|---|---|---|---|---|
| SCHEMBL29679658 | 0.96 | — | — | |
| Bromide SCHEMBL2417415 | 0.92 | — | — | |
| SCHEMBL28742022 | 0.82 | HSD17B10 (0.37) | — | |
| SCHEMBL9457114 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL27569354 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL1683157 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL27620055 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL1683158 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL11322851 | 0.67 | — | — | |
| SCHEMBL8759501 | 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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3368217-A1 | NICKEL-BASED CATALYTIC COMPOSITION IN THE PRESENCE OF A SPECIFIC ACTIVATOR AND USE THEREOF IN A OLEFIN OLIGOMERISATION METHOD | IFP Energies nouvelles (FR) | 2018-09-05 | — | — | EP | claimed |
| EP-3328542-A1 | NOVEL CATALYTIC COMPOSITION COMPRISING NICKEL AND A PHOSPHINE-TYPE LIGAND, AND USE THEREOF IN AN OLEFIN OLIGOMERISATION METHOD | IFP Energies nouvelles (FR) | 2018-06-06 | — | — | EP | claimed |
| EP-0448445-B1 | Liquid non-aqueous composition with an ionic character and its use as a solvent | INST FRANCAIS DU PETROLE (FR) | 1999-01-13 | — | — | EP | claimed |
| US-5104840-A | NON-AQUEOUS LIQUID COMPOSITION WITH AN IONIC CHARACTER AND ITS USE AS A SOLVENT | INSTITUT FRANCAIS DU PETROLE (FR) | 1992-04-14 | — | — | US | claimed |
| EP-3814305-A1 | METHOD FOR OLIGOMERISATION IN A CASCADE OF AGITATED GAS-LIQUID REACTORS WITH STAGED INJECTION OF ETHYLENE | IFP Energies nouvelles (FR) | 2021-05-05 | — | — | EP | disclosed |
| WO-2020002141-A1 | METHOD FOR OLIGOMERISATION IN A CASCADE OF AGITATED GAS-LIQUID REACTORS WITH STAGED INJECTION OF ETHYLENE | IFP Energies Nouvelles (FR) | 2020-01-02 | — | — | WO | disclosed |
| EP-3368217-A1 | NICKEL-BASED CATALYTIC COMPOSITION IN THE PRESENCE OF A SPECIFIC ACTIVATOR AND USE THEREOF IN A OLEFIN OLIGOMERISATION METHOD | IFP Energies nouvelles (FR) | 2018-09-05 | — | — | EP | disclosed |
| EP-3328542-A1 | NOVEL CATALYTIC COMPOSITION COMPRISING NICKEL AND A PHOSPHINE-TYPE LIGAND, AND USE THEREOF IN AN OLEFIN OLIGOMERISATION METHOD | IFP Energies nouvelles (FR) | 2018-06-06 | — | — | EP | disclosed |
| US-20130158321-A1 | PROCESS FOR THE PRODUCTION OF OCTENES BY DIMERIZING ETHYLENE TO FORM BUTENES AND DIMERIZING THE BUTENES TO FORM OCTENES | IFP Energies Nouvelles (FR) | 2013-06-20 | — | — | US | disclosed |
| EP-2543437-A2 | HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST | Takasago International Corporation (JP) | 2013-01-09 | — | — | EP | disclosed |
| US-8088883-B2 | Transition metal complex and process for producing conjugated aromatic compound using the transition metal complex | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-01-03 | — | — | US | disclosed |
| EP-2235029-B1 | NICKEL COMPLEXING COMPOUNDS CONTAINING DIARYL SULFIDE LIGANDS | BASF SE (DE) | 2011-09-21 | — | — | EP | disclosed |
| US-20110046336-A1 | TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX | SUMITOMO CHEMICAL COMPANY, LIMITED | 2011-02-24 | — | — | US | disclosed |
| US-7820580-B2 | Nickel-based catalysts for preparing high cis 1,4-polydienes | BRIDGESTONE CORPORATION (JP) | 2010-10-26 | — | — | US | disclosed |
| EP-2192124-A1 | TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND WITH THE TRANSITION METAL COMPLEX | Sumitomo Chemical Company, Limited (JP) | 2010-06-02 | — | — | EP | disclosed |
| US-20090143551-A1 | NICKEL-BASED CATALYSTS FOR PREPARING HIGH CIS 1,4-POLYDIENES | BRIDGESTONE CORPORATION (JP) | 2009-06-04 | — | — | US | disclosed |
| US-7087687-B2 | Catalytic composition and its preparation and use for preparing polymers from ethylenically unsaturated monomers | ROHM AND HAAS COMPANY (US) | 2006-08-08 | — | — | US | disclosed |
| US-20050043494-A1 | Catalytic composition and its preparation and use for preparing polymers from ethylenically unsaturated monomers | ROHM AND HAAS COMPANY | 2005-02-24 | — | — | US | disclosed |
| EP-1508577-A1 | A catalytic composition and its preparation and use for preparing polymers from ethylenically unsaturated monomers | ROHM AND HAAS COMPANY (US) | 2005-02-23 | — | — | EP | disclosed |
| US-5104840-A | NON-AQUEOUS LIQUID COMPOSITION WITH AN IONIC CHARACTER AND ITS USE AS A SOLVENT | INSTITUT FRANCAIS DU PETROLE (FR) | 1992-04-14 | — | — | US | disclosed |