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 SCHEMBL8054501 | 0.72 | — | — | |
| SCHEMBL17363744 | 0.69 | — | — | |
| SCHEMBL2878584 | 0.69 | — | — | |
| SCHEMBL2540038 | 0.64 | ALDH1A1 (0.36) | — | |
| SCHEMBL1278521 | 0.64 | NR1I2 (0.33) | — | |
| SCHEMBL1278524 | 0.64 | NR1I2 (0.33) | — | |
| SCHEMBL1278527 | 0.64 | NR1I2 (0.33) | — | |
| SCHEMBL28628562 | 0.64 | — | — | |
| SCHEMBL9887529 | 0.63 | — | — | |
| SCHEMBL2878672 | 0.63 | MAOA (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1343794-B1 | ALLYL-METALLOCENE COMPLEXES AND THEIR USE IN THE CATALYSIS OF (CO)POLYMERIZATION PROCESSES OF ALPHA-OLEFINS | POLIMERI EUROPA SPA (IT) | 2006-10-18 | — | — | EP | disclosed |
| US-20040072678-A1 | Allyl-metallocene complexes and their use in the catalysis of (co) polymerization processes of alpha-olefins | POLIMERI EUROPA S.P.A. (IT) | 2004-04-15 | — | — | US | disclosed |