Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6459144

C1=CC([Zr+2]2(C3C=Cc4c(C5CCCCC5)ccc(C5CCCCC5)c43)CCC2)c2c(C3CCCCC3)ccc(C3CCCCC3)c21.[Cl-].[Cl-]

nearest known ligand 0.30

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
CEL P19835 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
SCHEMBL6465162 0.69 CEL (0.35) CEL
Hydrochloric Acid SCHEMBL6553929 0.69 PTGS2 (0.31)
SCHEMBL6459763 0.67 CEL (0.33) CEL
Hydrochloric Acid SCHEMBL6465548 0.66 MEN1 (0.35)
Hydrochloric Acid SCHEMBL2777881 0.65
SCHEMBL239469 0.62 ABCB1 (0.43) CEL
Hydrochloric Acid SCHEMBL6453947 0.61
SCHEMBL9439521 0.61 CEL (0.33) CEL
SCHEMBL14353365 0.61 ABCB1 (0.42) CEL
SCHEMBL27524766 0.60 CEL (0.38) CEL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1049704-B1 BRIDGED METALLOCENES, PREPARATION, USE IN CATALYTIC SYSTEMS BASELL POLYOLEFINE GMBH (DE) 2005-07-27 EP disclosed
US-6433203-B1 COORDINATION POLYMERIZATION CATALYST; ALPHA-OLEFIN POLYMER BASELL TECHNOLOGY COMPANY BV (NL) 2002-08-13 US disclosed
EP-1049704-A1 BRIDGED METALLOCENES, PREPARATION, USE IN CATALYTIC SYSTEMS Montell Technology Company bv (NL) 2000-11-08 EP disclosed
WO-2000031088-A1 BRIDGED METALLOCENES, PREPARATION, USE IN CATALYTIC SYSTEMS MONTELL TECHNOLOGY COMPANY BV (NL) 2000-06-02 WO disclosed