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 | |
|---|---|---|---|---|
| Fluoride Ion SCHEMBL7112221 | 0.93 | — | — | |
| Bromide SCHEMBL7112456 | 0.93 | — | — | |
| Fluoride Ion SCHEMBL7112112 | 0.73 | ADRB2 (0.43) | — | |
| Hydrochloric Acid SCHEMBL7112390 | 0.69 | — | — | |
| Bromide SCHEMBL7109057 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL6436422 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL233243 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL7109014 | 0.59 | CA1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL6437470 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL6438644 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107312045-B | Preparation method of substituted cyclopentadienyl metallocene compound | 上海化工研究院有限公司 | 2019-12-13 | — | — | CN | disclosed |
| EP-0834514-B1 | Process for synthesizing metallocene compounds | KANTO KAGAKU (JP) | 2003-10-22 | — | — | EP | disclosed |
| EP-0424919-B1 | Polymerization catalyst | QUANTUM CHEM CORP (US) | 1995-03-22 | — | — | EP | disclosed |
| US-5155187-A | Polymerization method | QUANTUM CHEMICAL CORPORATION (US) | 1992-10-13 | — | — | US | disclosed |
| EP-0424919-A2 | Polymerization catalyst | QUANTUM CHEMICAL CORPORATION (US) | 1991-05-02 | — | — | EP | disclosed |
| US-5001099-A | Polymerization catalyst | QUANTUM CHEMICAL CORPORATION (US) | 1991-03-19 | — | — | US | disclosed |