Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6559566

C1=CCC(C(c2ccccc2)(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 7)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.34
TYRO3 Q06418 1/20 0.32
NTRK2 Q16620 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
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
SCHEMBL7942440 0.97 TDP2 (0.34) TDP2TYRO3NTRK2CLK4DYRK1B
Hydrochloric Acid SCHEMBL6559563 0.96 TDP2 (0.34) TDP2
Hydrochloric Acid SCHEMBL7939587 0.87 TDP2 (0.35) TDP2TYRO3NTRK2CLK4DYRK1B
SCHEMBL7930868 0.83 TDP2 (0.36) TDP2TYRO3NTRK2CLK4DYRK1B
Hydrochloric Acid SCHEMBL9226878 0.80 CA1 (0.36)
Hydrochloric Acid SCHEMBL9231563 0.80 HSP90AA1 (0.38)
Hydrochloric Acid SCHEMBL9068383 0.79
SCHEMBL7912055 0.78 ACHE (0.33)
Hydrochloric Acid SCHEMBL9229869 0.77 CA1 (0.39) TDP2
SCHEMBL646122 0.76

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 10 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
EP-0666267-B1 Organometallic fluorenyl compounds, preparation, and use PHILLIPS PETROLEUM CO (US) 2001-04-18 EP disclosed
US-5594078-A BRIDGED FLUORENYL METALLOCENE CATALYST PHILLIPS PETROLEUM COMPANY (US) 1997-01-14 US disclosed
US-5571880-A CATALYSTS FOR POLYMERIZATION OF OLEFINS ESPECIALLY TO OBTAIN SYNDIOTACTIC POLYMERS PHILLIPS PETROLEUM COMPANY (US) 1996-11-05 US 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
EP-0666267-A2 Organometallic fluorenyl compounds, preparation, and use PHILLIPS PETROLEUM COMPANY (US) 1995-08-09 EP disclosed