Hydrochloric Acid

Hydrochloric Acid

SCHEMBL28218754

C=COC(C)=O.[Cl-].[Cl-].[Cl-].[Fe+3]

nearest known ligand 0.40

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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 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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 SCHEMBL10882025 0.94
SCHEMBL7529535 0.94 ALDH1A1 (0.44) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL1438 0.94
SCHEMBL7064953 0.91
Water SCHEMBL404087 0.91
SCHEMBL25416150 0.91
Methane SCHEMBL1857106 0.91
SCHEMBL21776861 0.91
Ethylene SCHEMBL10382764 0.91 ALDH1A1 (0.42) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL11779415 0.91

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
CN-105859677-B A kind of preparation method of monochloroethylene carbonate 唐山汉伯化工有限公司 2018-05-18 CN disclosed