Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8615524

CCCC1=Cc2ccccc2C1[Ti+2].[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 2)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
Bromide SCHEMBL27933111 0.96 HTR2A (0.32) CYP11B1CYP11B2
Iodide SCHEMBL27948772 0.96 CYP11B1 (0.30) CYP11B1CYP11B2
Fluoride Ion SCHEMBL27948655 0.96 CYP11B1 (0.30) CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL27932999 0.90 CYP3A4 (0.33) CYP11B1CYP11B2
Fluoride Ion SCHEMBL27948619 0.86 CYP3A4 (0.33)
Iodide SCHEMBL27948782 0.86 CYP3A4 (0.33)
Bromide SCHEMBL27933160 0.86 CYP3A4 (0.33)
Hydrochloric Acid SCHEMBL27461592 0.85 CYP11B1 (0.34) CYP11B1CYP11B2
Iodide SCHEMBL27933137 0.81 CYP11B1 (0.31) CYP11B1CYP11B2
Fluoride Ion SCHEMBL27932892 0.81 CYP11B1 (0.31) CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103509060-A Metallocene compound, catalyst composite containing metallocene compound and olefin polymerization method using metallocene compound DAELIM IND CO LTD 2014-01-15 CN disclosed
EP-0837866-A1 PROCESS FOR CONVERTING THE ACHIRAL MESO FORM OR THE RACEMATE OF AN ANSA-METALLOCENE COMPLEX OR MIXTURES THEREOF INTO ONE OF ITS ENANTIOMERS BASF AKTIENGESELLSCHAFT (DE) 1998-04-29 EP disclosed
WO-1997003081-A1 PROCESS FOR CONVERTING THE ACHIRAL MESO FORM OR THE RACEMATE OF AN ANSA-METALLOCENE COMPLEX OR MIXTURES THEREOF INTO ONE OF ITS ENANTIOMERS BASF AKTIENGESELLSCHAFT (DE) 1997-01-30 WO disclosed