Hydrochloric Acid

Hydrochloric Acid

SCHEMBL29612648

CCc1ccc(-c2cccc3c2C=C(C)C3[Zr+2]C2C(C)=Cc3c(-c4ccc(CC)cc4)cccc32)cc1.[Cl-].[Cl-]

nearest known ligand 0.35

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
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
S1PR1 P21453 1/20 0.31
S1PR5 Q9H228 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 SCHEMBL4465625 0.87 EDNRB (0.35) EDNRBEDNRA
Hydrochloric Acid SCHEMBL29612340 0.86 EDNRB (0.35) EDNRBEDNRA
Hydrochloric Acid SCHEMBL29612286 0.85 SYK (0.33) EDNRBEDNRA
Hydrochloric Acid SCHEMBL5952168 0.85 SYK (0.33) EDNRBEDNRA
Hydrochloric Acid SCHEMBL2525982 0.84 PDCD1 (0.34)
Hydrochloric Acid SCHEMBL29564499 0.84 PDCD1 (0.34)
Hydrochloric Acid SCHEMBL8630711 0.83 PDCD1 (0.31)
Hydrochloric Acid SCHEMBL29612269 0.83 EDNRB (0.33) EDNRBEDNRA
Hydrochloric Acid SCHEMBL7598771 0.82 EDNRB (0.36) EDNRBEDNRA
Hydrochloric Acid SCHEMBL17698566 0.81 CYP1A2 (0.38) EDNRBEDNRA

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-2915824-B1 METALLOCENE LIGANDS, METALLOCENE COMPOUNDS AND METALLOCENE CATALYSTS, THEIR SYNTHESIS AND THEIR USE FOR THE POLYMERIZATION OF OLEFINS LUMMUS NOVOLEN TECHNOLOGY GMBH (DE) 2022-05-25 EP claimed
EP-2915824-B1 METALLOCENE LIGANDS, METALLOCENE COMPOUNDS AND METALLOCENE CATALYSTS, THEIR SYNTHESIS AND THEIR USE FOR THE POLYMERIZATION OF OLEFINS LUMMUS NOVOLEN TECHNOLOGY GMBH (DE) 2022-05-25 EP disclosed