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Hydrochloric Acid

Hydrochloric Acid

SCHEMBL31547368

FC(F)(F)c1ccc(-c2c3nc(c(-c4ccc(C(F)(F)F)cc4)c4ccc([nH]4)c(-c4ccc(C(F)(F)F)cc4)c4nc(c(-c5ccc(C(F)(F)F)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[Cl-].[Cl-].[Cl-].[Fe+3]

nearest known ligand 0.57

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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 6)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.57
▸ CYCS P99999 3/20 0.51
▸ TERT O14746 4/20 0.50
▸ ENPP2 Q13822 1/20 0.50
▸ ABCG2 Q9UNQ0 1/20 0.44
▸ KIF11 P52732 1/20 0.43

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
SCHEMBL15085693 0.97 TOP1 (0.56) TOP1CYCSTERTENPP2ABCG2
SCHEMBL16921240 0.89 TOP1 (0.50) TOP1CYCSTERTENPP2ABCG2
SCHEMBL16604343 0.88 TOP1 (0.51) TOP1CYCSTERTENPP2KIF11
SCHEMBL5015413 0.84 TOP1 (0.46) TOP1CYCSTERTENPP2ABCG2
SCHEMBL10589720 0.82 TERT (0.47) TOP1CYCSTERTENPP2
SCHEMBL1971674 0.80 TERT (0.57) TOP1CYCSTERTENPP2ABCG2
SCHEMBL30774963 0.80 TERT (0.57) TOP1CYCSTERTENPP2ABCG2
SCHEMBL30968084 0.80 TOP1 (0.84) TOP1CYCSTERTENPP2ABCG2
SCHEMBL29961137 0.79 TOP1 (0.78) TOP1CYCSTERTENPP2ABCG2
SCHEMBL245937 0.79 TOP1 (0.78) TOP1CYCSTERTENPP2ABCG2

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-119735549-A Method for synthesizing 3-nitropyrazole by metalloporphyrin catalysis 中国科学院青岛生物能源与过程研究所 2025-04-01 — — CN disclosed
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