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 | |
|---|---|---|---|---|
| SCHEMBL6247874 | 0.77 | — | — | |
| SCHEMBL28842715 | 0.77 | — | — | |
| SCHEMBL4305391 | 0.75 | — | — | |
| SCHEMBL4447967 | 0.74 | — | — | |
| SCHEMBL4452294 | 0.71 | — | — | |
| SCHEMBL28710216 | 0.71 | — | — | |
| SCHEMBL6625613 | 0.70 | — | — | |
| SCHEMBL27551594 | 0.67 | — | — | |
| Lithium SCHEMBL31113423 | 0.67 | — | — | |
| Methane SCHEMBL27646414 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1417031-A1 | AMINE ELIMINATION PROCESS FOR MAKING SINGLE-SITE CATALYSTS | Equistar Chemicals, LP (US) | 2004-05-12 | — | — | EP | disclosed |
| WO-2003015917-A1 | AMINE ELIMINATION PROCESS FOR MAKING SINGLE-SITE CATALYSTS | EQUISTAR CHEMICALS, LP (US) | 2003-02-27 | — | — | WO | disclosed |
| US-6440889-B1 | OLEFIN POLYMERIZATION CATALYSTS; GROUP 4 METAL COMPLEXES WITH SINGLE ANIONIC INDENOINDOLYL LIGAND; REACTING AN INDENOINDOLE WITH TETRAKIS(DIALKYLAMINO) ZIRCONIUM COMPOUND; HALOGENATING; REACTING WITH A CYCLOPENTADIENYL ANION | EQUISTAR CHEMICALS, LP | 2002-08-27 | — | — | US | disclosed |