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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL4314632 | 0.79 | SIGMAR1 (0.34) | — | |
| SCHEMBL8861716 | 0.66 | HTR2A (0.44) | — | |
| SCHEMBL4312759 | 0.64 | FDPS (0.37) | — | |
| SCHEMBL8831405 | 0.63 | HTR2A (0.34) | — | |
| SCHEMBL8831509 | 0.63 | RET (0.41) | — | |
| SCHEMBL1452608 | 0.63 | HTR6 (0.41) | — | |
| SCHEMBL1030004 | 0.63 | HTR2A (0.38) | — | |
| Hydrochloric Acid SCHEMBL27617903 | 0.63 | FDPS (0.36) | — | |
| Hydrochloric Acid SCHEMBL6459292 | 0.62 | — | — | |
| SCHEMBL9144761 | 0.61 | HTR2A (0.36) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7541481-B2 | Monocyclopentadienyl complex | BASELL POLYOLEFIN GMBH (DE) | 2009-06-02 | — | — | US | disclosed |
| US-20070155918-A1 | Monocyclopentadienyl complex | BASELL POLYOLEFINE GMBH (DE) | 2007-07-05 | — | — | US | disclosed |
| US-20060089253-A1 | Monocyclopentadienyl complexes | BASELL POLYOLEFINE GMBH (DE) | 2006-04-27 | — | — | US | disclosed |
| EP-1534724-B1 | MONOCYCLOPENTADIENYL COMPLEXES | BASELL POLYOLEFINE GMBH (DE) | 2006-03-08 | — | — | EP | disclosed |