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Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3687086

CCCCC1=C2c3c(-c4ccc(CCCC)cc4)cccc3C1[Zr+2]C1C(CCCC)=C(c3c(-c4ccc(CCCC)cc4)cccc31)[Si]2(C)C.[Cl-].[Cl-]

nearest known ligand 0.34

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
▸ HSD11B1 P28845 3/20 0.32
▸ NISCH Q9Y2I1 1/20 0.32
▸ RARB P10826 1/20 0.32
▸ BRS3 P32247 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 SCHEMBL3689645 0.97 HSD17B10 (0.34) HSD11B1RARB
Hydrochloric Acid SCHEMBL3689983 0.96 HSD17B10 (0.34) HSD11B1RARB
Hydrochloric Acid SCHEMBL3692543 0.92 HSD17B10 (0.32) HSD11B1RARB
Hydrochloric Acid SCHEMBL3689637 0.92 HSD17B10 (0.34) HSD11B1RARB
Hydrochloric Acid SCHEMBL3686424 0.91 — —
Hydrochloric Acid SCHEMBL7706379 0.91 BCHE (0.31) —
Hydrochloric Acid SCHEMBL7646741 0.90 HSD11B1 (0.35) HSD11B1NISCHRARBBRS3
Hydrochloric Acid SCHEMBL3687687 0.88 — —
Hydrochloric Acid SCHEMBL3696215 0.88 CASR (0.31) —
Hydrochloric Acid SCHEMBL3697225 0.87 EDNRB (0.33) —

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-20100056737-A1 Process for manufacturing high to ultra high molecular weight polymers using novel bridged metallocene catalysts NUTRINOVA NUTRITION SPECIALTIES & FOOD INGREDIENTS GMBH (DE) 2010-03-04 — — US disclosed
US-20070105712-A1 Process for manufacturing ultra high molecular weight polymers using novel bridged metallocene catalysts NUTRINOVA NUTRITION SPECIALTIES & FOOD INGREDIENTS GMBH (DE) 2007-05-10 — — US disclosed