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 SCHEMBL3355089 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL8906221 | 0.81 | — | — | |
| SCHEMBL8906127 | 0.81 | HTR6 (0.31) | — | |
| Hydrochloric Acid SCHEMBL30769631 | 0.79 | HTR2A (0.36) | — | |
| Hydrochloric Acid SCHEMBL30769837 | 0.79 | HTR2A (0.36) | — | |
| Hydrochloric Acid SCHEMBL30769736 | 0.79 | HTR2A (0.36) | — | |
| SCHEMBL8906322 | 0.79 | SIGMAR1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL8854997 | 0.79 | — | — | |
| SCHEMBL19630560 | 0.79 | HTR2A (0.39) | — | |
| SCHEMBL29386036 | 0.79 | HTR2A (0.39) | — |
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-2395028-A1 | Process for removal of residual catalyst components | Chemtura Corporation (US) | 2011-12-14 | — | — | EP | disclosed |
| EP-2059538-B1 | PROCESS FOR REMOVAL OF RESIDUAL CATALYST COMPONENTS | CHEMTURA CORP (US) | 2011-10-19 | — | — | EP | disclosed |
| EP-2059538-A2 | PROCESS FOR REMOVAL OF RESIDUAL CATALYST COMPONENTS | Chemtura Corporation (US) | 2009-05-20 | — | — | EP | disclosed |
| WO-2008030387-A2 | PROCESS FOR REMOVAL OF RESIDUAL CATALYST COMPONENTS | CHEMTURA CORPORATION (US) | 2008-03-13 | — | — | WO | disclosed |
| US-5646083-A | Process for the preparation of a bridged metallocene compound as well as a catalyst component and a process for the polymerization of olefins | DSM N.V. (NL) | 1997-07-08 | — | — | US | disclosed |