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Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5006895

CC1(C)CCC(C)(C)c2cc3c(cc21)-c1cc2c(cc1C3[Zr+2](C1=CC([Si](C)(C)C)=CC1)=C(c1ccccc1)c1ccccc1)C(C)(C)CCC2(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 6)

geneUniProtsupporting neighboursconfidence
▸ RARA P10276 6/20 0.35
▸ RXRA P19793 5/20 0.33
▸ RARB P10826 4/20 0.33
▸ RARG P13631 2/20 0.33
▸ RXRG P48443 3/20 0.32
▸ RXRB P28702 2/20 0.32

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 SCHEMBL5011286 0.86 RARA (0.37) RARARXRARARBRARGRXRG
Hydrochloric Acid SCHEMBL5011311 0.85 RARA (0.32) RARARXRARXRG
Hydrochloric Acid SCHEMBL453465 0.82 — —
Hydrochloric Acid SCHEMBL454346 0.82 — —
Hydrochloric Acid SCHEMBL5006896 0.80 RARB (0.35) RARARXRARARBRARGRXRG
Hydrochloric Acid SCHEMBL454887 0.80 CYP19A1 (0.30) —
Hydrochloric Acid SCHEMBL675080 0.80 CYP19A1 (0.32) —
Hydrochloric Acid SCHEMBL450575 0.80 NPC1 (0.30) —
SCHEMBL5008864 0.73 RARA (0.35) RARARXRARARBRARGRXRG
Hydrochloric Acid SCHEMBL2938555 0.72 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449533-B2 Metallocene compound, process for preparing metallocene compound, olefin polymerization catalyst, process for preparing polyolefin, and polyolefin MITSUI CHEMICALS, INC. (JP) 2008-11-11 — — US disclosed
EP-1138687-B1 Metallocenes, their preparation, olefin polymerisation catalysts and a process for producing polyolefins MITSUI CHEMICALS INC (JP) 2007-04-11 — — EP disclosed
US-20050228155-A1 Metallocene compound, process for preparing metallocene compund, olefin polymerization catalyst, process for preparing polyolefin, and polyolefin MITSUI CHEMICALS, INC. (JP) 2005-10-13 — — US disclosed
EP-1138687-A1 METALLOCENE COMPOUND, PROCESS FOR PRODUCING METALLOCENE COMPOUND, OLEFIN POLYMERIZATION CATALYST, PROCESS FOR PRODUCING POLYOLEFIN, AND POLYOLEFIN Mitsui Chemicals, Inc. (JP) 2001-10-04 — — EP disclosed