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 SCHEMBL6548637 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL5949214 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL5352162 | 0.88 | ALDH1A1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL1240934 | 0.88 | ALDH1A1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL6895311 | 0.74 | MAPK1 (0.35) | — | |
| SCHEMBL7142364 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL6890779 | 0.73 | — | — | |
| SCHEMBL6890162 | 0.72 | — | — | |
| SCHEMBL7946917 | 0.70 | ALDH1A1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL812668 | 0.69 | HTR2A (0.40) | — |
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-0697419-B2 | Olefin polymerization catalyst and process for olefin polymerization | MITSUI CHEMICALS INC (JP) | 2004-12-01 | — | — | EP | disclosed |
| US-6043325-A | RGANOALUMINUM OXY-COMPOUND HAVING A SPECIFIC MOLAR RATIO OF THE ALKYL GROUP TO THE ALUMINUM ATOM, A FINE PARTICLE CARRIER AND A TRANSITION METAL COMPOUND AND HAS A SPECIFIC BULK DENSITY AND A SPECIFIC FLUIDITY INDEX, | MITSUI CHEMICALS, INC. (JP) | 2000-03-28 | — | — | US | disclosed |
| EP-0697419-B1 | Olefin polymerization catalyst and process for olefin polymerization | MITSUI CHEMICALS INC (JP) | 1999-05-06 | — | — | EP | disclosed |
| US-5795838-A | COORDINATION CATALYST; CONTROLLING CONCENTRTAION OF ORGANOALUMINUM COMPOUND | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1998-08-18 | — | — | US | disclosed |
| EP-0697419-A1 | Olefin polymerization catalyst and process for olefin polymerization | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1996-02-21 | — | — | EP | disclosed |