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 SCHEMBL814467 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL5695988 | 0.65 | CASP3 (0.32) | — | |
| Hydrochloric Acid SCHEMBL646564 | 0.64 | PNMT (0.39) | — | |
| Hydrochloric Acid SCHEMBL124211 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL7745352 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL5968669 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL6558680 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL816588 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL6557787 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL1538940 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8546595-B2 | Halogen substituted heteroatom-containing metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2013-10-01 | — | — | US | disclosed |
| US-20120202956-A1 | Halogen Substituted Heteroatom-Containing Metallocene Compounds for Olefin Polymerization | EXXONMOBIL CHEMICAL PATENTS INC. | 2012-08-09 | — | — | US | disclosed |
| US-8173828-B2 | Halogen substituted heteroatom-containing metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2012-05-08 | — | — | US | disclosed |
| US-20110288249-A1 | Halogen Substituted Heteroatom-Containing Metallocene Compounds for Olefin Polymerization | EXXONMOBIL CHEMICAL PATENTS INC. | 2011-11-24 | — | — | US | disclosed |
| US-7868197-B2 | Halogen substituted heteroatom-containing metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2011-01-11 | — | — | US | disclosed |
| US-20070135623-A1 | Halogen substituted heteroatom-containing metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. | 2007-06-14 | — | — | US | disclosed |