Hydrochloric Acid

Hydrochloric Acid

SCHEMBL29612295

CC1=Cc2c(C(C)C)cc(C(C)C)cc2C1[Zr+2]C1C(C)=Cc2c(C(C)C)cc(C(C)C)cc21.[Cl-].[Cl-]

nearest known ligand 0.33

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 5)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
FABP4 P15090 3/20 0.33
FABP3 P05413 2/20 0.33
FABP5 Q01469 1/20 0.32

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 SCHEMBL1685534 1.00 GABRA1 (0.33) GABRA1GABRB2FABP4FABP3FABP5
Fluoride Ion SCHEMBL7639206 0.97 GABRA1 (0.33) GABRA1GABRB2FABP4FABP3FABP5
Hydrochloric Acid SCHEMBL8823402 0.86 GABRA1 (0.31) GABRA1GABRB2FABP4FABP3
Hydrochloric Acid SCHEMBL8636157 0.83 METAP2 (0.30)
Hydrochloric Acid SCHEMBL6523108 0.82
Hydrochloric Acid SCHEMBL27477259 0.80 GABRA1 (0.31) GABRA1GABRB2FABP4FABP3
Hydrochloric Acid SCHEMBL8632959 0.80
Hydrochloric Acid SCHEMBL2529411 0.79 GABRA1 (0.34) GABRA1GABRB2
Hydrochloric Acid SCHEMBL9421533 0.79 GABRA1 (0.34) GABRA1GABRB2FABP4FABP3FABP5
Hydrochloric Acid SCHEMBL5583459 0.79 GABRA1 (0.34) GABRA1GABRB2FABP4FABP3FABP5

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-2915824-B1 METALLOCENE LIGANDS, METALLOCENE COMPOUNDS AND METALLOCENE CATALYSTS, THEIR SYNTHESIS AND THEIR USE FOR THE POLYMERIZATION OF OLEFINS LUMMUS NOVOLEN TECHNOLOGY GMBH (DE) 2022-05-25 EP claimed
EP-2915824-B1 METALLOCENE LIGANDS, METALLOCENE COMPOUNDS AND METALLOCENE CATALYSTS, THEIR SYNTHESIS AND THEIR USE FOR THE POLYMERIZATION OF OLEFINS LUMMUS NOVOLEN TECHNOLOGY GMBH (DE) 2022-05-25 EP disclosed