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 SCHEMBL17698597 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL8679631 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL8658700 | 0.58 | — | — | |
| SCHEMBL19674790 | 0.54 | — | — | |
| Hydrochloric Acid SCHEMBL27513047 | 0.52 | — | — | |
| Hydrochloric Acid SCHEMBL27829190 | 0.52 | — | — | |
| Hydrochloric Acid SCHEMBL27837468 | 0.52 | — | — | |
| Hydrochloric Acid SCHEMBL27837478 | 0.52 | — | — | |
| Hydrochloric Acid SCHEMBL27885934 | 0.52 | — | — | |
| SCHEMBL10545264 | 0.51 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0937091-B1 | ZIRCONOCENE ISOMERIZATION PROCESS | ALBEMARLE CORP (US) | 2003-04-16 | — | — | EP | disclosed |
| EP-1115730-B1 | CATALYTIC PROCESS FOR ISOMERIZING METALLOCENES | ALBEMARLE CORP (US) | 2002-10-02 | — | — | EP | disclosed |
| EP-1115730-A1 | CATALYTIC PROCESS FOR ISOMERIZING METALLOCENES | ALBEMARLE CORPORATION (US) | 2001-07-18 | — | — | EP | disclosed |
| WO-2000017213-A1 | CATALYTIC PROCESS FOR ISOMERIZING METALLOCENES | ALBEMARLE CORPORATION (US) | 2000-03-30 | — | — | WO | disclosed |
| US-5965759-A | Catalytic process for isomerizing metallocenes | ALBEMARLE CORPORATION (US) | 1999-10-12 | — | — | US | disclosed |
| EP-0937091-A1 | ZIRCONOCENE ISOMERIZATION PROCESS | ALBEMARLE CORPORATION (US) | 1999-08-25 | — | — | EP | disclosed |
| US-5780660-A | Zirconocene ismerization process | ALBEMARLE CORPORATION (US) | 1998-07-14 | — | — | US | disclosed |
| WO-1998020014-A1 | ZIRCONOCENE ISOMERIZATION PROCESS | ALBEMARLE CORPORATION (US) | 1998-05-14 | — | — | WO | disclosed |