Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6651936

C1=CCC(C(CCCO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)(CO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)C2=CC=CC2)=C1.[Cl-].[Cl-].[Zr+2]

nearest known ligand 0.36

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 1)

geneUniProtsupporting neighboursconfidence
DUT P33316 1/20 0.36

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
SCHEMBL6649530 0.97 DUT (0.37) DUT
Hydrochloric Acid SCHEMBL6649181 0.86 DUT (0.32) DUT
Hydrochloric Acid SCHEMBL6651877 0.85 DUT (0.34) DUT
SCHEMBL6649217 0.83 DUT (0.33) DUT
Hydrochloric Acid SCHEMBL6651214 0.82
SCHEMBL6648216 0.82 DUT (0.36) DUT
SCHEMBL6649030 0.80 DUT (0.31) DUT
Hydrochloric Acid SCHEMBL6648403 0.79
Hydrochloric Acid SCHEMBL6653427 0.77
SCHEMBL6651291 0.76

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6534665-B1 Used for polymerization and copolymerization of olefins REPSOL QUIMICA S.A. (ES) 2003-03-18 US claimed
EP-1095944-B1 Single-carbon bridged bis cyclopentadienyl compounds and metallocene complexes thereof REPSOL QUIMICA SA (ES) 2004-03-17 EP disclosed
US-6534665-B1 Used for polymerization and copolymerization of olefins REPSOL QUIMICA S.A. (ES) 2003-03-18 US disclosed
EP-1095944-A1 Single-carbon bridged bis cyclopentadienyl compounds and metallocene complexes thereof REPSOL QUIMICA S.A. (ES) 2001-05-02 EP disclosed