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 SCHEMBL6628429 | 0.83 | — | — | |
| SCHEMBL28842715 | 0.69 | — | — | |
| SCHEMBL6568381 | 0.68 | — | — | |
| SCHEMBL4447967 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL3270111 | 0.64 | — | — | |
| SCHEMBL6625613 | 0.63 | — | — | |
| SCHEMBL28710216 | 0.61 | — | — | |
| SCHEMBL4452294 | 0.61 | — | — | |
| SCHEMBL9149166 | 0.60 | — | — | |
| Ethylene SCHEMBL4978646 | 0.60 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1567561-B1 | BIMETALLIC INDENOINDOLYL CATALYSTS | EQUISTAR CHEM LP (US) | 2009-05-27 | — | — | EP | disclosed |
| EP-1567561-A1 | BIMETALLIC INDENOINDOLYL CATALYSTS | Equistar Chemicals, LP (US) | 2005-08-31 | — | — | EP | disclosed |
| US-6841500-B2 | Bimetallic indenoindolyl catalysts | EQUISTAR CHEMICALS, LP (US) | 2005-01-11 | — | — | US | disclosed |
| WO-2004050718-A1 | BIMETALLIC INDENOINDOLYL CATALYSTS | EQUISTAR CHEMICALS, LP (US) | 2004-06-17 | — | — | WO | disclosed |
| US-20040106514-A1 | Bimetallic indenoindolyl catalysts | EQUISTAR CHEMICALS, LP | 2004-06-03 | — | — | US | disclosed |
| WO-2003104290-A2 | USE OF SILANES TO CONTROL MOLECULAR WEIGHT IN OLEFIN POLYMERIZATIONS | EQUISTAR CHEMICALS, LP (US) | 2003-12-18 | — | — | WO | disclosed |
| US-6630547-B1 | A process which comprises polymerizing an olefin with a catalyst precursor in the presence of an activator and an organosilane modifier, excluding hydrosilane wherein the catalyst precursor contains at least one | EQUISTAR CHEMICALS, LP | 2003-10-07 | — | — | US | disclosed |