Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5167142

CC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Zr+2](C)(C)C1C(C)=Cc2c(-c3cccc4ccccc34)cccc21.[Cl-].[Cl-].[SiH4]

nearest known ligand 0.35

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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 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.35
KDM4E B2RXH2 3/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP2A6 P11509 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
TDP2 O95551 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP3 P42574 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 SCHEMBL5168421 0.88 ALDH1A1 (0.36) ALDH1A1HPGDMAPK1L3MBTL1NISCH
Hydrochloric Acid SCHEMBL6054086 0.85 CES1 (0.35) DHFRALDH1A1HPGDHTR1AHTR7
Hydrochloric Acid SCHEMBL5415129 0.81 BRD4 (0.33) ALDH1A1HTR1AHTR7
Hydrochloric Acid SCHEMBL5170137 0.80 GSTP1 (0.36) DHFRKDM4ECNR2SLC6A4
Hydrochloric Acid SCHEMBL28529022 0.80 ALDH1A1 (0.34) DHFRKDM4ECA12CA1CA2
SCHEMBL28529430 0.80 ALDH1A1 (0.36) DHFRKDM4ECA12CA1CA2
Hydrochloric Acid SCHEMBL4060835 0.78 ALDH1A1 (0.35) DHFRKDM4ECA12CA1CA2
Hydrochloric Acid SCHEMBL4068167 0.78 ALDH1A1 (0.35) DHFRKDM4ECA12CA1CA2
Hydrochloric Acid SCHEMBL4094244 0.78 ALDH1A1 (0.35) DHFRKDM4ECA12CA1CA2
SCHEMBL5860453 0.78 ALDH1A1 (0.37) DHFRKDM4ECA12CA1CA2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7247686-B2 Solid cocatalyst component for olefin polymerization and catalyst system thereof BASELL POLYOLEFINE GMBH (DE) 2007-07-24 US disclosed
EP-1442067-B1 SOLID COCATALYST COMPONENT FOR OLEFIN POLYMERIZATION AND CATALYST SYSTEM THEREOF SUNALLOMER LTD (JP) 2007-04-18 EP disclosed
US-7005398-B2 Olefin polymerization catalyst, catalyst component for olefin polymerization, method of storing these, and process for producing olefin polymer SUNALLOMER LTD. (JP) 2006-02-28 US disclosed
US-20050009689-A1 Solid cocatalyst component for olefin polymerization and catalyst system thereof SUNALLOMER LTD. (JP) 2005-01-13 US disclosed
US-20040054102-A1 Olefin polymerization catalyst, catalyst component for olefin polymerization, method of storing these, and process for producing olefin polymer SUNALLOMER LTD. (JP) 2004-03-18 US disclosed
EP-1359166-A1 OLEFIN POLYMERIZATION CATALYST, CATALYST COMPONENT FOR OLEFIN POLYMERIZATION, METHOD OF STORING THESE, AND PROCESS FOR PRODUCING OLEFIN POLYMER Sunallomer Ltd (JP) 2003-11-05 EP disclosed