Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6909326

C1=C2C(=CC=C2[Ti+2](C2=CC=C3C2=CCc2ccc4ccccc4c23)=C(c2ccccc2)c2ccccc2)c2c(ccc3ccccc23)C1.[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 1)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.31

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 SCHEMBL6907141 0.85
Hydrochloric Acid SCHEMBL5179338 0.73 ALDH1A1 (0.32) WDR5
SCHEMBL20528892 0.71 ALDH1A1 (0.38) WDR5
Hydrochloric Acid SCHEMBL6156302 0.70
Hydrochloric Acid SCHEMBL3267441 0.70
Hydrochloric Acid SCHEMBL6909328 0.68 NPC1 (0.31)
SCHEMBL7740577 0.68 MAPT (0.30)
SCHEMBL3267472 0.66
Dimethylamine SCHEMBL8168794 0.66
Hydrochloric Acid SCHEMBL21245428 0.65 ALDH1A1 (0.38) WDR5

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-6790917-B2 POLYMERIZING A VINYL COMPOUND IN PRESENCE OF A CATALYST OBTAINED BY COMBINING ORGANOTRANSITION METAL COMPOUND, AN ALUMINUM COMPUND OR ALUMOXANE AND A BORON COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-09-14 US disclosed
US-20020198340-A1 Process for producing vinyl compound polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-26 US disclosed