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 | |
|---|---|---|---|---|
| SCHEMBL1643947 | 0.73 | HDAC3 (0.63) | — | |
| SCHEMBL6634673 | 0.73 | HDAC3 (0.63) | — | |
| Hydrochloric Acid SCHEMBL8159981 | 0.72 | — | — | |
| SCHEMBL42695 | 0.71 | — | — | |
| Butyrylhydroxamic Acid SCHEMBL264922 | 0.71 | — | — | |
| Water SCHEMBL29155573 | 0.71 | HDAC3 (0.60) | — | |
| Hydrochloric Acid SCHEMBL9142766 | 0.70 | HDAC3 (0.52) | — | |
| Hydrochloric Acid SCHEMBL7113646 | 0.70 | HDAC3 (0.52) | — | |
| Hydrochloric Acid SCHEMBL7109037 | 0.70 | HDAC3 (0.52) | — | |
| Hydrochloric Acid SCHEMBL9145384 | 0.70 | HDAC3 (0.52) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0892816-B1 | POLYMERIZATION PROCESS FOR PRODUCING POLYOLEFIN ELASTOMER, CATION-GENERATING COCATALYST FOR ACTIVATING A METALLOCENE PROCATALYST, POLYOLEFIN ELASTOMER POSSESSING A UNIQUE COMBINATION OF PROPERTIES AND PRODUCTS MANUFACTURED THEREFROM | UNIROYAL CHEM CO INC (US) | 2002-12-04 | — | — | EP | disclosed |
| EP-0892816-A1 | POLYMERIZATION PROCESS FOR PRODUCING POLYOLEFIN ELASTOMER, CATION-GENERATING COCATALYST FOR ACTIVATING A METALLOCENE PROCATALYST, POLYOLEFIN ELASTOMER POSSESSING A UNIQUE COMBINATION OF PROPERTIES AND PRODUCTS MANUFACTURED THEREFROM | UNIROYAL CHEMICAL COMPANY, Inc. (US) | 1999-01-27 | — | — | EP | disclosed |
| WO-1997038019-A1 | POLYMERIZATION PROCESS FOR PRODUCING POLYOLEFIN ELASTOMER, CATION-GENERATING COCATALYST FOR ACTIVATING A METALLOCENE PROCATALYST, POLYOLEFIN ELASTOMER POSSESSING A UNIQUE COMBINATION OF PROPERTIES AND PRODUCTS MANUFACTURED THEREFROM | UNIROYAL CHEMICAL COMPANY, INC. (US) | 1997-10-16 | — | — | WO | disclosed |
| EP-0491842-A1 | MONOCYCLOPENTADIENYL TRANSITION METAL OLEFIN POLYMERIZATION CATALYSTS. | EXXON CHEMICAL PATENTS INC (US) | 1992-07-01 | — | — | EP | disclosed |