Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5600951

CC1=C([Zr+2]C2C(n3c(C)cc4ccccc43)=Cc3ccccc32)CC=C1.[Cl-].[Cl-]

nearest known ligand 0.32

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
MAPT P10636 1/20 0.32
RXFP1 Q9HBX9 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
Fluoride Ion SCHEMBL5603211 0.98 MAPT (0.32) MAPTRXFP1
Hydrochloric Acid SCHEMBL5600464 0.86
Hydrochloric Acid SCHEMBL5601890 0.86 VCP (0.33)
Hydrochloric Acid SCHEMBL5604029 0.85
Fluoride Ion SCHEMBL5602929 0.84 VCP (0.33)
Fluoride Ion SCHEMBL5601655 0.84
Hydrochloric Acid SCHEMBL5601919 0.84 PRKD3 (0.30)
Hydrochloric Acid SCHEMBL5602375 0.83 MAPT (0.30) MAPTRXFP1
Fluoride Ion SCHEMBL5602292 0.83
Hydrochloric Acid SCHEMBL5601212 0.82 MAPT (0.31) MAPTRXFP1

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