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 SCHEMBL5909782 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL8157798 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL6053543 | 0.69 | — | — | |
| Bromide SCHEMBL7588956 | 0.69 | — | — | |
| SCHEMBL7604223 | 0.67 | — | — | |
| Ethane SCHEMBL10433119 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL672756 | 0.66 | — | — | |
| Bromide SCHEMBL7598143 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL7782707 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL6284721 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1629018-A1 | CLASS OF METALLOCENES AND METHOD OF PRODUCING POLYETHYLENE | Univation Technologies LLC (US) | 2006-03-01 | — | — | EP | disclosed |
| US-6911508-B2 | Class of metallocenes and method of producing polyethylene | UNIVATION TECHNOLOGIES, LLC (US) | 2005-06-28 | — | — | US | disclosed |
| WO-2004108771-A1 | CLASS OF METALLOCENES AND METHOD OF PRODUCING POLYETHYLENE | UNIVATION TECHNOLOGIES, LLC (US) | 2004-12-16 | — | — | WO | disclosed |
| US-20040249096-A1 | Class of metallocenes and method of producing polyethylene | EXXONMOBIL CHEMICAL PATENTS INC. | 2004-12-09 | — | — | US | disclosed |
| US-20010034298-A1 | CATALYST FOR POLYMERIZATION OF ETHYLENE AND METHOD FOR PRODUCING ETHYLENE POLYMERS | MITSUBISHI CHEMICAL CORPORATION (JP) | 2001-10-25 | — | — | US | disclosed |
| US-5770752-A | Process for reducing the concentration of by-products in product mixtures | TARGOR GMBH (DE) | 1998-06-23 | — | — | US | disclosed |