Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7734136

CC1=NC2=CC=CC2=C1.Cc1ccc(C2=Cc3ccccc3C2[Zr+2]C2C(c3ccc(C)s3)=Cc3ccccc32)s1.[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
Hydrochloric Acid SCHEMBL7735543 0.89
Hydrochloric Acid SCHEMBL6899182 0.82 CHRM2 (0.36)
Hydrochloric Acid SCHEMBL7722859 0.72
Hydrochloric Acid SCHEMBL7722848 0.68
Hydrochloric Acid SCHEMBL6904506 0.67 HSD17B1 (0.38)
Hydrochloric Acid SCHEMBL3554939 0.67
SCHEMBL1072486 0.67
Hydrochloric Acid SCHEMBL7733901 0.67 KDM4E (0.31)
SCHEMBL7735539 0.67 CHRM2 (0.37)
Hydrochloric Acid SCHEMBL6900360 0.67 MEN1 (0.33)

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6458982-B1 CATALYST SYSTEM COMPRISING AT LEAST ONE METALLOCENE AND AT LEAST ONE COCATALYST. ON SUPPORT. TARGOR GMBH (DE) 2002-10-01 US disclosed