Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5601254

C1=C(n2ccc3ccccc32)C([Zr+2]C2C(n3c4c(c5ccccc53)CCC4)=Cc3ccccc32)c2ccccc21.[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
CA1 P00915 3/20 0.33
CA2 P00918 3/20 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
Hydrochloric Acid SCHEMBL5600157 0.98 CA1 (0.33) CA1CA2
Hydrochloric Acid SCHEMBL5603140 0.90 CA1 (0.39) CA1CA2
Bromide SCHEMBL5600682 0.88 CA1 (0.39) CA1CA2
Fluoride Ion SCHEMBL5603612 0.88 CA1 (0.39) CA1CA2
Hydrochloric Acid SCHEMBL5600409 0.88 CA1 (0.40) CA1CA2
Hydrochloric Acid SCHEMBL5603344 0.86 CA1 (0.35) CA1CA2
Hydrochloric Acid SCHEMBL5601565 0.85 SMN1; SMN2 (0.32) CA1CA2
Fluoride Ion SCHEMBL5601302 0.85 CA1 (0.40) CA1CA2
Bromide SCHEMBL5600399 0.85 CA1 (0.40) CA1CA2
Hydrochloric Acid SCHEMBL5603956 0.85 BIRC5 (0.32)

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
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed