Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8464435

CC1=Cc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cccc2C1[Zr+2](C1C(C)=Cc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cccc21)=[Si](C)C.[Cl-].[Cl-]

nearest known ligand 0.35

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 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
KDM1A O60341 1/20 0.31
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30

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 SCHEMBL8464927 0.92 KDM1A (0.37) HTR1AHTR7KDM1A
Hydrochloric Acid SCHEMBL8462241 0.89 DRD2 (0.31)
Hydrochloric Acid SCHEMBL8463224 0.86
Hydrochloric Acid SCHEMBL8465338 0.85 HTR1A (0.33) HTR1AHTR7
Hydrochloric Acid SCHEMBL29873739 0.84 BRD4 (0.32)
Hydrochloric Acid SCHEMBL8459042 0.83 HTR1A (0.37) HTR1AHTR7RXRARXRB
Hydrochloric Acid SCHEMBL8463652 0.83 EDNRB (0.36)
Hydrochloric Acid SCHEMBL966562 0.81 PDCD1 (0.31)
Hydrochloric Acid SCHEMBL6436497 0.81 PDCD1 (0.31)
Hydrochloric Acid SCHEMBL338921 0.81 PDCD1 (0.31)

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-5859272-A METALLOCENES; PRODUCES POLYOLEFINS HAVING A HIGH MELTING POINT AND A HIGH MOLECULAR WEIGHT; HIGH POLYMERIZATION ACTIVITY MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1999-01-12 US disclosed
US-5616663-A TRANSITION METAL COMPOUND, ALUMINOXANE, COMPOUND WHICH REACTS WITH TRANSITION METAL COMPOUND TO FORM ION PAIR MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1997-04-01 US disclosed