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 SCHEMBL30525926 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL2232970 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL7604920 | 0.81 | GABRA1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL8590616 | 0.81 | GABRA1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL31414072 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL30525916 | 0.81 | GABRA1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL1043012 | 0.81 | FAAH (0.31) | — | |
| Hydrochloric Acid SCHEMBL7030015 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL30978832 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL216306 | 0.80 | PDCD1 (0.31) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1287009-A1 | ENHANCED SYNTHESIS OF RACEMIC METALLOCENES | ALBEMARLE CORPORATION (US) | 2003-03-05 | — | — | EP | disclosed |
| WO-2001094360-A1 | ENHANCED SYNTHESIS OF RACEMIC METALLOCENES | ALBEMARLE CORPORATION (US) | 2001-12-13 | — | — | WO | disclosed |
| US-6063725-A | CATALYST COMPRISING ORGANIC TRANSITION METAL COMPOUND AND SEPARATE SUPPORT COMPRISING ORGANIC CARBONYL-CONTAINING COMPOUND AND ORGANIC ALUMINUM OXY COMPOUND | MITSUI CHEMICALS, INC. (JP) | 2000-05-16 | — | — | US | disclosed |
| EP-0822938-A1 | ENHANCED SYNTHESIS OF RACEMIC METALLOCENES | ALBEMARLE CORPORATION (US) | 1998-02-11 | — | — | EP | disclosed |
| EP-0773237-A1 | Olefin polymerization catalyst system | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1997-05-14 | — | — | EP | disclosed |
| WO-1996034002-A1 | ENHANCED SYNTHESIS OF RACEMIC METALLOCENES | ALBEMARLE CORPORATION (US) | 1996-10-31 | — | — | WO | disclosed |