Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6558623

C1=CCC(C(c2ccccc2)c2c(-c3ccccc3)ccc3c2Cc2cc(-c4ccccc4)ccc2-3)=C1.[Cl-].[Cl-].[Zr+2]

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 3)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.34
PARP10 Q53GL7 1/20 0.31
PARP11 Q9NR21 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
SCHEMBL7938782 0.97 TDP2 (0.34) TDP2
Hydrochloric Acid SCHEMBL6557723 0.73 PNMT (0.35)
Hydrochloric Acid SCHEMBL9171690 0.72 TDP2 (0.36) TDP2PARP10PARP11
Hydrochloric Acid SCHEMBL7939587 0.71 TDP2 (0.35) TDP2PARP10PARP11
Hydrochloric Acid SCHEMBL8677325 0.71 SLC6A2 (0.39)
Hydrochloric Acid SCHEMBL6559566 0.70 TDP2 (0.34) TDP2PARP10PARP11
Hydrochloric Acid SCHEMBL3268789 0.69 TDP2 (0.46) TDP2PARP10PARP11
Hydrochloric Acid SCHEMBL28939190 0.69 TDP2 (0.46) TDP2PARP10PARP11
Hydrochloric Acid SCHEMBL6557716 0.69 PNMT (0.35)
Hydrochloric Acid SCHEMBL715869 0.68 TDP2 (0.34) TDP2PARP10PARP11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0666267-B1 Organometallic fluorenyl compounds, preparation, and use PHILLIPS PETROLEUM CO (US) 2001-04-18 EP claimed
EP-0666267-A2 Organometallic fluorenyl compounds, preparation, and use PHILLIPS PETROLEUM COMPANY (US) 1995-08-09 EP claimed
EP-0705851-B9 Catalyst systems and process for producing broad molecular weight distribution polyolefin CONOCOPHILLIPS CO (US) 2004-08-11 EP disclosed
EP-0705851-B1 Catalyst systems and process for producing broad molecular weight distribution polyolefin CONOCOPHILLIPS CO (US) 2004-01-21 EP disclosed
US-5710224-A CATALYTIC POLYMERIZATION OF ETHYLENE USING FLUORENE INDENYL ETHANE ZIRCONIUM DICHLORIDE WITH METALLOCENE PHILLIPS PETROLEUM COMPANY (US) 1998-01-20 US disclosed
US-5594078-A BRIDGED FLUORENYL METALLOCENE CATALYST PHILLIPS PETROLEUM COMPANY (US) 1997-01-14 US disclosed
EP-0729978-A1 Polyethylene and method for production thereof PHILLIPS PETROLEUM COMPANY (US) 1996-09-04 EP disclosed
US-5534473-A METALLOCENES AND COCATALYST PHILLIPS PETROLEUM COMPANY (US) 1996-07-09 US disclosed
EP-0705851-A2 Catalyst systems and process for producing broad molecular weight distribution polyolefin PHILLIPS PETROLEUM COMPANY (US) 1996-04-10 EP disclosed