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Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8458903

CC(C)CC1=Cc2c(-c3ccc(C(F)(F)F)cc3)cccc2C1[Zr+2](C1C(CC(C)C)=Cc2c(-c3ccc(C(F)(F)F)cc3)cccc21)[SiH](C)C.[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 2)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 2/20 0.32
▸ DRD2 P14416 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 SCHEMBL8461390 0.88 DRD2 (0.34) DRD2
Hydrochloric Acid SCHEMBL8461925 0.86 DRD2 (0.35) DRD2
Hydrochloric Acid SCHEMBL8463928 0.85 CACNA1B (0.32) CACNA1BDRD2
Hydrochloric Acid SCHEMBL8458270 0.84 DRD2 (0.34) DRD2
Hydrochloric Acid SCHEMBL8457636 0.82 KDR (0.32) DRD2
Hydrochloric Acid SCHEMBL8459045 0.80 — —
SCHEMBL5951876 0.79 DRD2 (0.30) DRD2
Hydrochloric Acid SCHEMBL8460988 0.78 HTR1A (0.35) —
Hydrochloric Acid SCHEMBL6892880 0.77 CACNA1B (0.34) CACNA1BDRD2
Hydrochloric Acid SCHEMBL6892864 0.77 CACNA1B (0.34) CACNA1BDRD2

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
EP-0653433-B1 Novel transition metal compound, olefin polymerization catalyst component comprising the transition metal compound, olefin polymerization catalyst comprising the olefin polymerization catalyst component, and process for olefin polymerization MITSUI CHEMICALS INC (JP) 1999-01-13 — — EP disclosed
EP-0653433-A1 Novel transition metal compound, olefin polymerization catalyst component comprising the transition metal compound, olefin polymerization catalyst comprising the olefin polymerization catalyst component, and process for olefin polymerization MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1995-05-17 — — EP disclosed