Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7754629

CCCCC1=C(C)c2ccccc2C1[Zr+2](C1C(CCCC)=C(C)c2ccccc21)=[Si](C)C.[Cl-].[Cl-]

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

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.

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 1/20 0.35
BCHE P06276 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL3770252 0.77 TNKS2 (0.33)
Hydrochloric Acid SCHEMBL7772245 0.77 TNKS2 (0.33)
Hydrochloric Acid SCHEMBL7943137 0.74 GPR3 (0.33)
Hydrochloric Acid SCHEMBL27182253 0.73 BCHE (0.36) BCHEACHE
Hydrochloric Acid SCHEMBL3119418 0.73 GPR3 (0.40) BCHEACHE
Hydrochloric Acid SCHEMBL27182295 0.71 BCHE (0.34) BCHEACHE
Iodide SCHEMBL27182259 0.70 BCHE (0.36) BCHEACHE
Fluoride Ion SCHEMBL27182245 0.70 BCHE (0.36) BCHEACHE
Hydrochloric Acid SCHEMBL3739288 0.70 CYP3A4 (0.31)
Bromide SCHEMBL27203212 0.70 BCHE (0.36) BCHEACHE

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1071690-A1 METALLOCENE PURIFICATION PROCESS ALBEMARLE CORPORATION (US) 2001-01-31 EP disclosed
WO-1999052919-A1 METALLOCENE PURIFICATION PROCESS ALBEMARLE CORPORATION (US) 1999-10-21 WO disclosed