Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3679838

C1=CCC([Zr+4]C2C=Cc3ccccc32)=C1.CC(C)=[Zr](C1=CC=CC1)C1C=Cc2ccccc21.[Cl-].[Cl-].[Cl-].[Cl-]

nearest known ligand 0.00

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.

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL8672294 0.89
Hydrochloric Acid SCHEMBL7932444 0.87
Hydrochloric Acid SCHEMBL8379126 0.87
SCHEMBL8762792 0.77 CYP2D6 (0.31)
SCHEMBL8762795 0.77 CYP2D6 (0.31)
Hydrochloric Acid SCHEMBL3679837 0.77
SCHEMBL814512 0.76
Hydrochloric Acid SCHEMBL8380283 0.75
SCHEMBL7063246 0.74 HSP90AA1 (0.30)
SCHEMBL16239945 0.73

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179256-A1 Highly Filled Colorant Composition For Coloring Olefinic And Also Nonolefinic Plastics CLARIANT FINANCE (BVI) LIMITED (VG) 2010-07-15 US disclosed
US-20090018243-A1 Polyolefin-Based Building Materials CLARIANT INTERNATIONAL LTD. 2009-01-15 US disclosed
WO-2007131958-A1 USE OF PROPYLENE COPOLYMER WAXES FOR PRODUCTION OF TACKY PLASTICS FILMS CLARIANT INTERNATIONAL LTD (CH) 2007-11-22 WO disclosed
US-20070117906-A1 Use of polyolefin waxes in hot melt compositions CLARIANT PRODUKTE (DEUTSCHLAND) GMBH 2007-05-24 US disclosed
US-20060074171-A1 Use of polyolefin waxes in hot melt compositions CLARIANT GMBH 2006-04-06 US disclosed
US-20060025508-A1 Use of polyolefin waxes in polycondensates CLARIANT GMBH 2006-02-02 US disclosed