Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7935699

CC1=C([Zr+2](C2=C(C)C(c3ccccc3F)=CC2)=[Si](C)C)CC=C1c1ccccc1F.[Cl-].[Cl-]

nearest known ligand 0.33

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
CHRM1 known ✓ P11229 1/20 0.33
NISCH Q9Y2I1 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 SCHEMBL7935704 0.74 NISCH (0.33) NISCH
Hydrochloric Acid SCHEMBL618733 0.71
Hydrochloric Acid SCHEMBL7936112 0.71 NPC1 (0.31) NISCH
Bromide SCHEMBL7889962 0.68
Hydrochloric Acid SCHEMBL7935422 0.68 NISCH (0.33) NISCH
Hydrochloric Acid SCHEMBL7936075 0.67 CYP3A4 (0.31)
Hydrochloric Acid SCHEMBL2403297 0.66
Hydrochloric Acid SCHEMBL7932997 0.65 CYP3A4 (0.32)
SCHEMBL2970898 0.59 NISCH (0.36) CHRM1NISCH
SCHEMBL29547174 0.57 ACHE (0.47) NISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6184402-B1 RESOLUTION OF A STEREOISOMERIC MIXTURE OF SPECIFIC METALLOCENE COMPLEXES BRIDGED WITH A TRANSITION METAL HAVING AN OXYGEN BOND ATTACHED, I.E., A MU-OXO COMPLEX; HYDROLYSIS IN THE PRESENCE OF A BASE; SEPARATION OF MESO FORM FROM MIXES CHISSO CORPORATION (JP) 2001-02-06 US disclosed