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Hydrochloric Acid

Hydrochloric Acid

SCHEMBL15410496

COc1c(C(C)(C)C)cc2c(c1-c1ccccc1)C=C(CC(C)C)[C@H]2[Zr+2]([C@H]1C(CC(C)C)=Cc2c1cc(C(C)(C)C)c(OC)c2-c1ccccc1)=[Si](C)C.[Cl-].[Cl-]

nearest known ligand 0.32

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 4)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32

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 SCHEMBL9960057 1.00 PDE4A (0.32) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL29770907 1.00 PDE4A (0.32) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL15345284 0.88 PDE4A (0.33) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL2592074 0.88 PDE4A (0.30) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL15410777 0.88 PDE4A (0.30) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL29929495 0.84 PDE4A (0.33) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL28779170 0.83 PDE4A (0.35) PDE4APDE4BPDE4CPDE4D
SCHEMBL9960097 0.82 PDE4A (0.32) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL28779171 0.81 PDE4A (0.35) PDE4APDE4BPDE4CPDE4D
SCHEMBL9960059 0.81 PDE4A (0.32) PDE4APDE4BPDE4CPDE4D

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-9079985-B2 Bridged metallocene catalysts BOREALIS AG (AT) 2015-07-14 — — US disclosed
US-20140018506-A1 BRIDGED METALLOCENE CATALYSTS BOREALIS AG (AT) 2014-01-16 — — US disclosed