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 SCHEMBL8712525 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL9561722 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL8162417 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL8384639 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL4377143 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL9078983 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL7945888 | 0.70 | — | — | |
| SCHEMBL8715976 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL6357863 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL8715774 | 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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5395969-A | Charge transport or control agents; photoconductors; electrographic toners | ZENECA LIMITED (GB) | 1995-03-07 | — | — | US | claimed |
| US-5334598-A | Have endothelin antagonist activity; useful in treating cardiovascular disorders, hypertension, inflammatory diseases and asthma | MERCK & CO., INC. (US) | 1994-08-02 | — | — | US | claimed |
| US-5106835-A | Hypotensive agents | AMERICAN CYANAMID COMPANY (US) | 1992-04-21 | — | — | US | claimed |
| US-5916982-A | Process for the production of polyolefins | NIPPON OIL CO., LTD. (JP) | 1999-06-29 | — | — | US | disclosed |
| EP-0768320-A1 | Catalyst component and catalyst | NIPPON OIL CO. LTD. (JP) | 1997-04-16 | — | — | EP | disclosed |
| EP-0768319-A1 | Process for the production of polyolefins | NIPPON OIL CO. LTD. (JP) | 1997-04-16 | — | — | EP | disclosed |
| US-5556821-A | Catalyst component for the polymerization of olefins | NIPPON OIL COMPANY, LIMITED (JP) | 1996-09-17 | — | — | US | disclosed |
| US-5554753-A | Catalytic enantioselective synthesis of α-amino acid derivatives by phase-transfer catalysis | INDIANA UNIVERSITY FOUNDATION (US) | 1996-09-10 | — | — | US | disclosed |
| US-5334598-A | Have endothelin antagonist activity; useful in treating cardiovascular disorders, hypertension, inflammatory diseases and asthma | MERCK & CO., INC. (US) | 1994-08-02 | — | — | US | disclosed |
| US-5106835-A | Hypotensive agents | AMERICAN CYANAMID COMPANY (US) | 1992-04-21 | — | — | US | disclosed |