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 | |
|---|---|---|---|---|
| SCHEMBL29495007 | 0.81 | CYP1A2 (0.32) | — | |
| SCHEMBL1826218 | 0.81 | CYP1A2 (0.32) | — | |
| Lithium SCHEMBL29650829 | 0.79 | CYP1A2 (0.31) | — | |
| SCHEMBL22228283 | 0.79 | CYP1A2 (0.31) | — | |
| SCHEMBL27615471 | 0.79 | CYP1A2 (0.31) | — | |
| SCHEMBL2963162 | 0.73 | ALDH1A1 (0.30) | — | |
| SCHEMBL7453975 | 0.72 | — | — | |
| SCHEMBL7453969 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL7465269 | 0.72 | — | — | |
| SCHEMBL4765617 | 0.71 | MAOA (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0846122-B1 | BRIDGED METALLOCENE COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF, AND USE THEREOF IN CATALYSTS FOR THE POLYMERIZATION OF OLEFINS | MONTELL TECHNOLOGY COMPANY BV (NL) | 2000-07-05 | — | — | EP | disclosed |
| EP-0846122-A1 | BRIDGED METALLOCENE COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF, AND USE THEREOF IN CATALYSTS FOR THE POLYMERIZATION OF OLEFINS | Montell Technology Company B.V. (NL) | 1998-06-10 | — | — | EP | disclosed |
| WO-1996038458-A1 | BRIDGED METALLOCENE COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF, AND USE THEREOF IN CATALYSTS FOR THE POLYMERIZATION OF OLEFINS | MONTELL TECHNOLOGY COMPANY B.V. (NL) | 1996-12-05 | — | — | WO | disclosed |