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Hydrochloric Acid

Hydrochloric Acid

SCHEMBL12475332

CC(C)(C)C1=Cc2ccccc2C1[Hf+2](=[SiH2])C1C(C(C)(C)C)=Cc2ccccc21.[Cl-].[Cl-]

nearest known ligand 0.31

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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
▸ CYP19A1 P11511 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 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 SCHEMBL966584 0.80 CYP19A1 (0.30) CYP19A1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL12475635 0.77 CYP19A1 (0.30) CYP19A1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL4094226 0.73 CYP19A1 (0.33) CYP19A1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL4089085 0.73 CYP19A1 (0.33) CYP19A1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL4063281 0.73 CYP19A1 (0.33) CYP19A1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL28313038 0.72 CYP19A1 (0.31) CYP19A1CYP11B1CYP11B2
SCHEMBL27527194 0.72 CYP19A1 (0.32) CYP19A1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL2527185 0.71 CYP19A1 (0.33) CYP19A1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL27504740 0.71 CYP19A1 (0.33) CYP19A1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL5607568 0.71 CYP19A1 (0.31) CYP19A1CYP11B1CYP11B2

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
EP-2673315-A1 POLYETHYLENE FILMS Equistar Chemicals, LP (US) 2013-12-18 — — EP disclosed
WO-2012109246-A1 POLYETHYLENE FILMS EQUISTAR CHEMICALS, LP (US) 2012-08-16 — — WO disclosed