Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8633266

CC1=Cc2ccccc2C1[Zr+2]C1C(C)=Cc2c(-c3ccccc3)cccc21.[Cl-].[Cl-]

nearest known ligand 0.31

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
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 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 SCHEMBL29564499 0.93 PDCD1 (0.34) PDCD1CD274
Hydrochloric Acid SCHEMBL2525982 0.93 PDCD1 (0.34) PDCD1CD274
Fluoride Ion SCHEMBL7636064 0.90 PDCD1 (0.34) PDCD1CD274
Hydrochloric Acid SCHEMBL5400495 0.89
Hydrochloric Acid SCHEMBL8635296 0.89
Hydrochloric Acid SCHEMBL8679015 0.89
Hydrochloric Acid SCHEMBL6553574 0.89 PDCD1 (0.32) PDCD1CD274
Hydrochloric Acid SCHEMBL5380509 0.87
Fluoride Ion SCHEMBL5383760 0.86
Hydrochloric Acid SCHEMBL21980378 0.86 PDCD1 (0.33) PDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5776851-A COORDINATION POLYMERIZATION CATALYST TARGOR GMBH (DE) 1998-07-07 US claimed
US-5776851-A COORDINATION POLYMERIZATION CATALYST TARGOR GMBH (DE) 1998-07-07 US disclosed
US-5767300-A Metallocene compound TARGOR GMBH (DE) 1998-06-16 US disclosed
US-5693730-A METALLOCENES HAVING MORE THAN ONE CENTRAL ATOM AND A SPECIAL BRIDGE STRUCTURE FOR PREPARING ISOTACTIC, HIGH-MOLECULAR-WEIGHT POLYMERS HAVING GOOD GRAIN MORPHOLOGY; PROPYLENE HOMO- AND COPOLYMERS HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-02 US disclosed
US-5612428-A CATALYTIC POLYMERIZATION WITH COORDINATION COMPLEXES WITH GROUP IVB METALS AND COCATALYSTS HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-18 US disclosed
US-5576260-A POLYMERIZATION CATALYSTS FOR OLEFINS HOECHST AKTIENGESELLSCHAFT (DE) 1996-11-19 US disclosed
US-5532396-A HAS TWO INDENYL LIGANDS WITH DIFFERENT SUBSTITUTION PATTERNS ON THE SIX-MEMBERED RINGS. LIGANDS ARE JOINED BY DIVALENT GROUP CONNECTING FIVE-MEMBERED RINGS. METAL IS FROM GROUP /IVB/, /VB/ OR /VIB/. OLEFIN POLYMERIZATION CATALYST HOECHST AKTIENGESELLSCHAFT (DE) 1996-07-02 US disclosed