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 | |
|---|---|---|---|---|
| SCHEMBL6903248 | 0.74 | SIGMAR1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL4632301 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL4633052 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL4632247 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL7057214 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL4633115 | 0.70 | — | — | |
| SCHEMBL4633022 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL4633029 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL8831760 | 0.57 | HRH3 (0.32) | — | |
| Hydrochloric Acid SCHEMBL8831773 | 0.57 | HRH3 (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1054026-B1 | BUTADIENE POLYMERS AND PROCESS FOR PRODUCING CONJUGATED DIENE POLYMERS | JP AGENCY OF INDUSTRIALSCIENCE (JP) | 2004-12-08 | — | — | EP | disclosed |
| US-6653430-B1 | Addition polymerizing in presence of Group 4 metal complex having cyclopentadienyl structure and alumoxane cocatalyst; high cis configuration | JAPAN AS REPRESENTED BY DIRECTOR GENERAL OF THE AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2003-11-25 | — | — | US | disclosed |
| EP-1054026-A1 | BUTADIENE POLYMERS AND PROCESS FOR PRODUCING CONJUGATED DIENE POLYMERS | JAPAN as Represented by DIRECTOR GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2000-11-22 | — | — | EP | disclosed |