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 SCHEMBL4482452 | 0.77 | — | — | |
| SCHEMBL7871785 | 0.73 | — | — | |
| SCHEMBL10755418 | 0.39 | — | — | |
| Propionaldehyde SCHEMBL27521539 | 0.39 | — | — | |
| Propane SCHEMBL5168550 | 0.37 | — | — | |
| SCHEMBL23202780 | 0.37 | PTGS2 (0.46) | — | |
| SCHEMBL10329660 | 0.37 | — | — | |
| Water SCHEMBL27957852 | 0.35 | TSHR (0.39) | — | |
| Propionaldehyde SCHEMBL7278 | 0.35 | — | — | |
| Propionaldehyde SCHEMBL27077157 | 0.35 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7569651-B2 | Transition metal compound, ligand system, catalyst system and its use for the polymerization and copolymerization of olefins | BASELL POLYPROPYLEN GMBH (DE) | 2009-08-04 | — | — | US | disclosed |
| US-7342078-B2 | Transition metal compound, ligand system, catalyst system and the use of the latter for polymerisation and copolymerisation of olefins | BASELL POLYOLEFINE GMBH (DE) | 2008-03-11 | — | — | US | disclosed |
| US-20060020096-A1 | Transition metal compound, ligand system, catalyst system and its use for the polymerization and copolymerization of olefins | SCHOTTEK JORG | 2006-01-26 | — | — | US | disclosed |
| EP-1548037-A2 | Random propylene-ethylene copolymers | Basell Polyolefine GmbH (DE) | 2005-06-29 | — | — | EP | disclosed |
| EP-1548022-A2 | Transition metal compound, ligand system, catalyst system and the use of the latter for the polymerisation and copolymerisation of olefins | Basell Polyolefine GmbH (DE) | 2005-06-29 | — | — | EP | disclosed |
| EP-1548023-A2 | Transition metal compound, catalyst system and the use of the latter for the polymerisation and copolymerisation of olefins | Basell Polyolefine GmbH (DE) | 2005-06-29 | — | — | EP | disclosed |