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 SCHEMBL2486099 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL2485277 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL2486530 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL2837147 | 0.74 | — | — | |
| SCHEMBL1452177 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL4999816 | 0.73 | ALDH1A1 (0.30) | — | |
| SCHEMBL1451861 | 0.72 | — | — | |
| SCHEMBL1452573 | 0.71 | — | — | |
| SCHEMBL1451654 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL2483177 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1963347-B1 | HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEM PATENTS INC (US) | 2011-10-19 | — | — | EP | disclosed |
| US-7550544-B2 | Halogen substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2009-06-23 | — | — | US | disclosed |
| EP-1963347-A1 | HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | ExxonMobil Chemical Patents, Inc., A Corporation of the State of Delaware (US) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007070041-A1 | HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-06-21 | — | — | WO | disclosed |
| US-20070135595-A1 | Halogen substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS, INC. | 2007-06-14 | — | — | US | disclosed |