Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7938541

[Cl-].[Cl-].[Hf+2]C1=C(C2c3ccccc3-c3ccccc32)C=CC1

nearest known ligand 0.34

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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 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.34
CYP19A1 P11511 1/20 0.32
GPR3 P46089 1/20 0.31
NOS2 P35228 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 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 SCHEMBL3170692 0.79 HTR2A (0.34) HTR2ACYP19A1GPR3CYP1A2CYP2D6
Methane SCHEMBL8163328 0.77 HTR2A (0.33) HTR2ACYP19A1
Hydrochloric Acid SCHEMBL8905301 0.77 HTR2A (0.33) HTR2ACYP19A1GPR3
Methane SCHEMBL8935403 0.77 HTR2A (0.33) HTR2ACYP19A1
SCHEMBL8906349 0.76 HTR2A (0.35) HTR2AGPR3CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL3687523 0.75 HTR2A (0.32) HTR2A
Methane SCHEMBL8935426 0.73 GPR3 (0.31) HTR2AGPR3
Hydrochloric Acid SCHEMBL3679754 0.71 ADRA2C (0.31)
Hydrochloric Acid SCHEMBL2763539 0.71 SLC6A2 (0.31)
Hydrochloric Acid SCHEMBL8838234 0.70 SLC6A2 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010044509-A1 Haloaryl containing group 13 substituents on bridged metallocene polyolefin catalysts EXXONMOBIL CHEMICAL PATENTS INC. 2001-11-22 US disclosed
EP-1144467-A1 HALOARYL CONTAINING GROUP 13 SUBSTITUENTS ON BRIDGED METALLOCENE POLYOLEFIN CATALYSTS Univation Technologies LLC (US) 2001-10-17 EP disclosed
US-6291610-B1 COMBINING OLEFIN WITH CATALYST COMPLEX DERIVED FROM: METALLOCENC COMPOUND HAVING SILICON BRIDGING ELEMENT SUBSTITUTED WITH BORON MOIETY CONTAINING TWO HALOGENATED AROMATIC GROUPS, AND ALKYL ALUMINUM COMPOUND OR ALUMINOXANE UNIVATION TECHNOLOGIES, LLC 2001-09-18 US disclosed
WO-2000037513-A1 HALOARYL CONTAINING GROUP 13 SUBSTITUENTS ON BRIDGED METALLOCENE POLYOLEFIN CATALYSTS UNIVATION TECHNOLOGIES, LLC (US) 2000-06-29 WO disclosed
US-5476914-A Highly crystalline; comprising a high percentage of racemic dyads FINA TECHNOLOGY, INC. (US) 1995-12-19 US disclosed