Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1235571

CC1C=C(C(C)(C)C)C=C1[Zr+2](=C(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1)C1c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21.[Cl-].[Cl-]

nearest known ligand 0.34

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
ACHE known ✓ P22303 3/20 0.34
CES2 O00748 1/20 0.32
TP53 P04637 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 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 SCHEMBL2276943 0.90 GAA (0.33) ACHECES2TP53TAS1R3TAS1R1
Hydrochloric Acid SCHEMBL37078 0.88
Hydrochloric Acid SCHEMBL1236197 0.88 ACHE (0.32) ACHECES2TAS1R3TAS1R1
Hydrochloric Acid SCHEMBL3278391 0.88 ACHE (0.32) ACHECES2
Hydrochloric Acid SCHEMBL1236569 0.86 TAS1R3 (0.33) ACHETAS1R3TAS1R1
Hydrochloric Acid SCHEMBL2274874 0.86
Hydrochloric Acid SCHEMBL1236410 0.85 HDAC3 (0.33) ACHETAS1R3TAS1R1
Hydrochloric Acid SCHEMBL2276604 0.83
Hydrochloric Acid SCHEMBL2870495 0.83 NQO2 (0.31)
Hydrochloric Acid SCHEMBL142006 0.83 NPC1 (0.30)

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-7879960-B2 methyl)(phenyl)methylene(3-tert-butyl-5-ethylcyclopentadienyl)(3,6-di-tert-butylfluorenyl)zirconium dichloride a metallocene], methylalumoxane, triisobutylaluminum containing catalyst system for propylene homo or copolymerization MITSUI CHEMICALS, INC. (JP) 2011-02-01 US disclosed
EP-1803742-B1 PROCESS FOR PRODUCING PROPYLENE POLYMER MITSUI CHEMICALS INC (JP) 2010-06-23 EP disclosed
US-20080097055-A1 Process for Producing Propylene Polymer MITSUI CHEMICALS, INC. (JP) 2008-04-24 US disclosed
EP-1803742-A1 PROCESS FOR PRODUCING PROPYLENE POLYMER Mitsui Chemicals, Inc. (JP) 2007-07-04 EP disclosed