Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8459042

CC1=Cc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cccc2C1[Zr+2](C1C(C)=Cc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cccc21)[SiH](C)C.[Cl-].[Cl-]

nearest known ligand 0.37

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 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.37
HTR7 P34969 2/20 0.37
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30

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 SCHEMBL8461602 0.92 HTR1A (0.38) HTR1AHTR7
Hydrochloric Acid SCHEMBL8457636 0.89 KDR (0.32)
Hydrochloric Acid SCHEMBL3685625 0.89
Hydrochloric Acid SCHEMBL31099218 0.89
Fluoride Ion SCHEMBL1131093 0.87
Hydrochloric Acid SCHEMBL8459119 0.86
Hydrochloric Acid SCHEMBL8460988 0.85 HTR1A (0.35) HTR1AHTR7
Hydrochloric Acid SCHEMBL8464435 0.83 HTR1A (0.35) HTR1AHTR7RXRARXRB
Hydrochloric Acid SCHEMBL31255988 0.83 KIF11 (0.37) RXRARXRB
Hydrochloric Acid SCHEMBL8460191 0.83 EDNRB (0.36)

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-0653433-B1 Novel transition metal compound, olefin polymerization catalyst component comprising the transition metal compound, olefin polymerization catalyst comprising the olefin polymerization catalyst component, and process for olefin polymerization MITSUI CHEMICALS INC (JP) 1999-01-13 EP disclosed
EP-0653433-A1 Novel transition metal compound, olefin polymerization catalyst component comprising the transition metal compound, olefin polymerization catalyst comprising the olefin polymerization catalyst component, and process for olefin polymerization MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1995-05-17 EP disclosed