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 | |
|---|---|---|---|---|
| P-Xylene SCHEMBL497786 | 0.45 | ACHE (0.80) | — | |
| P-Xylene SCHEMBL28164319 | 0.43 | ACHE (0.73) | — | |
| Phosphine SCHEMBL27494537 | 0.43 | — | — | |
| P-Xylene SCHEMBL11772917 | 0.42 | ACHE (1.00) | — | |
| P-Xylene SCHEMBL771 | 0.42 | — | — | |
| O-Xylene SCHEMBL31325794 | 0.41 | TSHR (0.83) | — | |
| P-Xylene SCHEMBL1508153 | 0.39 | ACHE (0.89) | — | |
| P-Xylene SCHEMBL11003481 | 0.39 | — | — | |
| P-Xylene SCHEMBL7526278 | 0.39 | — | — | |
| P-Xylene SCHEMBL461064 | 0.39 | ACHE (0.89) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0574794-B1 | Organic transition metal compound having a pi-bonding heterocyclic ligand and method of polymerizing olefins by using the same | TOSOH CORP (JP) | 2000-09-06 | — | — | EP | disclosed |