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 SCHEMBL385357 | 0.94 | GABRA1 (0.31) | — | |
| Fluoride Ion SCHEMBL7639229 | 0.92 | GABRA1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL8631922 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL672606 | 0.79 | FAAH (0.30) | — | |
| Hydrochloric Acid SCHEMBL8635937 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL8604940 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL4078649 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL7929727 | 0.75 | FAAH (0.32) | — | |
| Hydrochloric Acid SCHEMBL8630901 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL9421533 | 0.73 | GABRA1 (0.34) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1620448-B1 | PROCESS FOR THE PRODUCTION OF HALIDE METALLOCENE COMPOUNDS | BASELL POLYOLEFINE GMBH (DE) | 2010-06-16 | — | — | EP | disclosed |
| US-7468451-B2 | Process for the production of halide metallocene compounds | BASELL POLYOLEFINE GMBH (DE) | 2008-12-23 | — | — | US | disclosed |
| EP-1381618-B1 | PROCESS FOR THE PRODUCTION OF MONOHALIDE OR DIHALIDE METALLOCENE COMPOUNDS | BASELL POLYOLEFINE GMBH (DE) | 2008-05-07 | — | — | EP | disclosed |
| US-20070043228-A1 | Process for the production of halide metallocene compounds | BASELL POLYOLEFINE GMBH (DE) | 2007-02-22 | — | — | US | disclosed |
| US-7115761-B2 | Process for the production of monohalide or dihalide metallocene compounds | BASELL POLYOLEFINE GMBH (DE) | 2006-10-03 | — | — | US | disclosed |
| US-20060025621-A1 | Process for the production of monohalide or dihalide metallocene compounds | BASELL POLYOLEFINE GMBH (DE) | 2006-02-02 | — | — | US | disclosed |
| EP-1620448-A1 | PROCESS FOR THE PRODUCTION OF HALIDE METALLOCENE COMPOUNDS | Basell Polyolefine GmbH (DE) | 2006-02-01 | — | — | EP | disclosed |
| US-6987196-B2 | Process for the production of monohalide or dihalide metallocene compounds | BASELL POLYOLEFINE GMBH (DE) | 2006-01-17 | — | — | US | disclosed |
| WO-2004099225-A1 | PROCESS FOR THE PRODUCTION OF HALIDE METALLOCENE COMPOUNDS | BASELL POLYOLEFINE GMBH (DE) | 2004-11-18 | — | — | WO | disclosed |
| US-20040147770-A1 | Process for the production of monohalide or dihalide metallocene compounds | EQUISTAR CHEMICALS, LP | 2004-07-29 | — | — | US | disclosed |
| EP-1381618-A2 | PROCESS FOR THE PRODUCTION OF MONOHALIDE OR DIHALIDE METALLOCENE COMPOUNDS | Basell Polyolefine GmbH (DE) | 2004-01-21 | — | — | EP | disclosed |
| WO-2002083699-A2 | PROCESS FOR THE PRODUCTION OF MONOHALIDE OR DIHALIDE METALLOCENE COMPOUNDS | BASELL POLYOLEFINE GMBH (DE) | 2002-10-24 | — | — | WO | disclosed |