Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7111497

C=[Ti+2](C1=CC=CC1)C1c2ccccc2-c2ccccc21.[Cl-].[Cl-]

nearest known ligand 0.32

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
GPR3 P46089 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 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
SCHEMBL4576052 0.97 GPR3 (0.32) GPR3CYP1A2CYP2D6
SCHEMBL7032666 0.95 GPR3 (0.31) GPR3CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL7108788 0.85
Hydrochloric Acid SCHEMBL5078321 0.78 GPR3 (0.30) GPR3
Hydrochloric Acid SCHEMBL715375 0.78 GPR3 (0.30) GPR3
Hydrochloric Acid SCHEMBL818847 0.78 MEN1 (0.31) GPR3
Hydrochloric Acid SCHEMBL4464038 0.78 GPR3 (0.30) GPR3
Hydrochloric Acid SCHEMBL719839 0.78 POLB (0.33) GPR3
Fluoride Ion SCHEMBL7643026 0.75 POLB (0.33) GPR3
Hydrochloric Acid SCHEMBL820367 0.75 MEN1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0908435-B1 Method for purifying transition metal compounds SUMITOMO CHEMICAL CO (JP) 2003-10-01 EP disclosed
US-6107502-A Method for purifying transition metal compound and method for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-08-22 US disclosed
EP-0908435-A1 Method for purifying transition metal compound and method for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-04-14 EP disclosed