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 | |
|---|---|---|---|---|
| Fluoride Ion SCHEMBL14954373 | 0.94 | — | — | |
| Iodide SCHEMBL14953794 | 0.94 | — | — | |
| Bromide SCHEMBL14953896 | 0.94 | — | — | |
| SCHEMBL14954319 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL7063112 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL9561722 | 0.67 | — | — | |
| SCHEMBL815752 | 0.65 | — | — | |
| SCHEMBL11507075 | 0.65 | — | — | |
| SCHEMBL8079535 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL17529926 | 0.65 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-60202835-A | — | — | None | — | — | JP | disclosed |
| US-8722912-B2 | Metal complex compound and process for producing amides utilizing the metal complex compound | NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) | 2014-05-13 | — | — | US | disclosed |
| US-20130131366-A1 | Metal Complex Compound and Process for Producing Amides Utilizing the Metal Complex Compound | NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) | 2013-05-23 | — | — | US | disclosed |
| EP-1504002-A1 | OPTICALLY ACTIVE &bgr;-AMINOKETONES, OPTICALLY ACTIVE 1,3-AMINOALCOHOLS AND METHOD FOR THE PRODUCTION THEREOF | Aventis Pharma Deutschland GmbH (DE) | 2005-02-09 | — | — | EP | disclosed |
| WO-2003093259-A1 | OPTICALLY ACTIVE β-AMINOKETONES, OPTICALLY ACTIVE 1,3-AMINOALCOHOLS AND METHOD FOR THE PRODUCTION THEREOF | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2003-11-13 | — | — | WO | disclosed |
| JP-S60202835-A | PREPARATION OF 3-METHYLPENTANE-1,5-DIOL | KURARAY CO LTD | 1985-10-14 | — | — | JP | disclosed |