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 | |
|---|---|---|---|---|
| SCHEMBL6432168 | 0.95 | — | — | |
| SCHEMBL27476502 | 0.76 | AKR1C3 (0.30) | — | |
| Ethylene SCHEMBL8661745 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL818983 | 0.72 | — | — | |
| SCHEMBL8104299 | 0.71 | CYP2D6 (0.30) | — | |
| Hydrochloric Acid SCHEMBL5179224 | 0.71 | — | — | |
| Ethylene SCHEMBL8665086 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL6719692 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL811918 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL6469907 | 0.69 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0844277-B1 | Medium density polyethylene compositions for film applications | TOTAL PETROCHEMICALS RES FELUY (BE) | 2005-08-31 | — | — | EP | claimed |
| US-6114456-A | POLYMERIZATION OF LOW DENSITY POLYETHYLENE WITH NON-METALLOCENE CATALYST, POLYMERIZATION OF MEDIUM DENSITY POLYETHYLENE WITH METALLOCENE CATALYST, BLENDING TOGETHER BOTH RESULTING POLYMERS | FINA RESEARCH, S.A. (BE) | 2000-09-05 | — | — | US | claimed |
| EP-0870802-A1 | Medium density polyethylene compositions for film applications | FINA RESEARCH S.A. (BE) | 1998-10-14 | — | — | EP | claimed |
| EP-0844277-A1 | Medium density polyethylene compositions for film applications | FINA RESEARCH S.A. (BE) | 1998-05-27 | — | — | EP | claimed |
| EP-0844277-B1 | Medium density polyethylene compositions for film applications | TOTAL PETROCHEMICALS RES FELUY (BE) | 2005-08-31 | — | — | EP | disclosed |
| US-6114456-A | POLYMERIZATION OF LOW DENSITY POLYETHYLENE WITH NON-METALLOCENE CATALYST, POLYMERIZATION OF MEDIUM DENSITY POLYETHYLENE WITH METALLOCENE CATALYST, BLENDING TOGETHER BOTH RESULTING POLYMERS | FINA RESEARCH, S.A. (BE) | 2000-09-05 | — | — | US | disclosed |
| EP-0870802-A1 | Medium density polyethylene compositions for film applications | FINA RESEARCH S.A. (BE) | 1998-10-14 | — | — | EP | disclosed |
| EP-0844277-A1 | Medium density polyethylene compositions for film applications | FINA RESEARCH S.A. (BE) | 1998-05-27 | — | — | EP | disclosed |