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 SCHEMBL5179224 | 0.75 | — | — | |
| SCHEMBL8104299 | 0.75 | CYP2D6 (0.30) | — | |
| Hydrochloric Acid SCHEMBL6471527 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL7743389 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL6858081 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL6719692 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL811918 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL6469907 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL1073024 | 0.73 | — | — | |
| SCHEMBL813889 | 0.72 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8426613-B2 | Synthesis of substituted tetrahydroindenyl complexes | TOTAL PETROCHEMICALS RESEARCH FELUY (BE) | 2013-04-23 | — | — | US | disclosed |
| US-20110306741-A1 | SYNTHESIS OF SUBSTITUTED TETRAHYDROINDENYL COMPLEXES | GOSUDARSTVENNOE UCHEBNO-NAUCHNOE UCHREZHDENIE KHIMICHESKY FAKULTET MOSKOVSKOGO | 2011-12-15 | — | — | US | disclosed |
| EP-2373665-A1 | SYNTHESIS OF SUBSTITUTED TETRAHYDROINDENYL COMPLEXES | Total Petrochemicals Research Feluy (BE) | 2011-10-12 | — | — | EP | disclosed |
| WO-2010076188-A1 | SYNTHESIS OF SUBSTITUTED TETRAHYDROINDENYL COMPLEXES | TOTAL PETROCHEMICALS RESEARCH FELUY (BE) | 2010-07-08 | — | — | WO | disclosed |
| WO-2010077163-A1 | SYNTHESIS OF SUBSTITUTED TETRAHYDROINDENYL COMPLEXES, METALLOCENES PRODUCED THEREFROM AND USE OF THE METALLOCENES IN POLYMERISATION PROCESSES | GOSUDARSTVENNOE UCHEBNO-NAUCHNOE UCHREZHDENIE KHIMICHESKY FAKULTET MOSKOVSKOGO GOSUDARSTVENNOGO UNIVERSITETA IM. M.V.LOMONOSOVA (RU) | 2010-07-08 | — | — | WO | disclosed |
| US-7569713-B2 | hydrogenation to prepare a bridged bis(indenyl) hydrogenated metallocene catalyst; use as polymerization catalyst in olefin polymerization to produce stereoregular polyethylene, polypropylene, or ethylene-propylene copolymer | TOTAL PETROCHEMICALS RESEARCH FELUY (BE) | 2009-08-04 | — | — | US | disclosed |
| US-20070155619-A1 | Hydrogenated catalyst | TOTAL PETROCHEMICALS RESEARCH FELUY (BE) | 2007-07-05 | — | — | US | disclosed |
| EP-1599510-A2 | HYDROGENATED METALLOCENE CATALYST | TOTAL PETROCHEMICALS RESEARCH FELUY (BE) | 2005-11-30 | — | — | EP | disclosed |
| EP-1464657-A1 | Hydrogenated metallocene catalyst | ATOFINA Research (BE) | 2004-10-06 | — | — | EP | disclosed |
| WO-2004078798-A2 | HYDROGENATED METALLOCENE CATALYST | TOTAL PETROCHEMICALS RESEARCH FELUY (BE) | 2004-09-16 | — | — | WO | disclosed |