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Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3687089

CCCc1ccc(-c2cccc3c2C2=C(c4ccccc4)C3[Zr+2]C3C(c4ccccc4)=C(c4c(-c5ccc(CCC)cc5)cccc43)[Si]2(C)C)cc1.[Cl-].[Cl-]

nearest known ligand 0.33

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 2)

geneUniProtsupporting neighboursconfidence
▸ EDNRB P24530 1/20 0.30
▸ EDNRA P25101 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 SCHEMBL3690696 0.94 HSD11B1 (0.38) —
Hydrochloric Acid SCHEMBL3689350 0.92 HSD11B1 (0.38) —
Hydrochloric Acid SCHEMBL3687227 0.91 EDNRB (0.38) EDNRBEDNRA
Hydrochloric Acid SCHEMBL7938880 0.88 CHRNB2 (0.33) —
Hydrochloric Acid SCHEMBL6462630 0.86 — —
Hydrochloric Acid SCHEMBL3694697 0.85 EDNRB (0.34) EDNRBEDNRA
Hydrochloric Acid SCHEMBL3687646 0.83 ABCB1 (0.30) —
Hydrochloric Acid SCHEMBL3685190 0.82 KIF11 (0.31) —
Hydrochloric Acid SCHEMBL3688240 0.82 MEN1 (0.30) —
Hydrochloric Acid SCHEMBL3692543 0.81 HSD17B10 (0.32) —

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