Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6909241

CC1=C(C)C([Ti+2](=C(C)C)C2C(C)=C(C)c3ccccc32)c2ccccc21.[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 3)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
GPR3 P46089 1/20 0.31
HTR2A P28223 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 SCHEMBL714923 0.83 POLB (0.42) POLBGPR3HTR2A
Hydrochloric Acid SCHEMBL6911183 0.81
Hydrochloric Acid SCHEMBL6910165 0.80 FGFR1 (0.33) POLBHTR2A
Hydrochloric Acid SCHEMBL6911523 0.79 MAOA (0.32)
Hydrochloric Acid SCHEMBL6905944 0.77 ALDH1A1 (0.30)
Hydrochloric Acid SCHEMBL819361 0.77 DHFR (0.35) HTR2A
Hydrochloric Acid SCHEMBL394655 0.75 GPR3 (0.31) GPR3HTR2A
Hydrochloric Acid SCHEMBL29790325 0.75 GPR3 (0.31) GPR3HTR2A
Hydrochloric Acid SCHEMBL5846003 0.72 ADRA2C (0.34)
SCHEMBL14277097 0.69 MEN1 (0.40) POLBGPR3

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-6790917-B2 POLYMERIZING A VINYL COMPOUND IN PRESENCE OF A CATALYST OBTAINED BY COMBINING ORGANOTRANSITION METAL COMPOUND, AN ALUMINUM COMPUND OR ALUMOXANE AND A BORON COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-09-14 US disclosed
US-20020198340-A1 Process for producing vinyl compound polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-26 US disclosed