Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8632675

CC1=Cc2c(-c3ccccc3)cccc2C1[Zr+2]1(C2C(C)=Cc3c(-c4ccccc4)cccc32)=[Si]2c3ccccc3[Si]=1c1ccccc12.[Cl-].[Cl-]

nearest known ligand 0.30

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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 3)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK4 Q16654 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 SCHEMBL8635789 0.85 PDK2 (0.30) PDK2PDK4
Hydrochloric Acid SCHEMBL8628713 0.84 ADRA2A (0.33) BRD4PDK2PDK4
Hydrochloric Acid SCHEMBL8636180 0.83
Hydrochloric Acid SCHEMBL9069168 0.80 ADRA2A (0.31) PDK2PDK4
Hydrochloric Acid SCHEMBL390312 0.79 USP30 (0.33) BRD4PDK2PDK4
Hydrochloric Acid SCHEMBL8633441 0.78
Hydrochloric Acid SCHEMBL8633679 0.77 KDM4E (0.33)
Hydrochloric Acid SCHEMBL672585 0.77 USP30 (0.32) BRD4PDK2PDK4
Hydrochloric Acid SCHEMBL3267582 0.77 USP30 (0.32) BRD4PDK2PDK4
Hydrochloric Acid SCHEMBL8631895 0.76

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 3 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-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