Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1237134

CCCC1C=C(C(C)(C)C)C=C1[Zr+2](=C(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1)C1c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)cc21.[Cl-].[Cl-]

nearest known ligand 0.31

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
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
S1PR5 Q9H228 1/20 0.31
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31
ACLY P53396 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 SCHEMBL1236325 0.95 HDAC3 (0.32) S1PR5
Hydrochloric Acid SCHEMBL1235554 0.93 S1PR5 (0.32) S1PR5ALDH1A1ACLY
Hydrochloric Acid SCHEMBL1235452 0.92 KIF11 (0.30)
Hydrochloric Acid SCHEMBL1235734 0.91
Hydrochloric Acid SCHEMBL1236569 0.90 TAS1R3 (0.33) TAS1R3TAS1R1ALDH1A1POLB
Hydrochloric Acid SCHEMBL1235713 0.90 TAS1R3 (0.34) TAS1R3TAS1R1ALDH1A1POLB
Hydrochloric Acid SCHEMBL1236657 0.89 TAS1R3 (0.32) TAS1R3TAS1R1ALDH1A1POLB
Hydrochloric Acid SCHEMBL1235747 0.89
Hydrochloric Acid SCHEMBL1236347 0.88
Hydrochloric Acid SCHEMBL1236531 0.87 TAS1R3 (0.33) TAS1R3TAS1R1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802779-B2 Propylene-based polymer composition, use thereof, and method for producing thermoplastic polymer composition MITSUI CHEMICALS, INC. (JP) 2014-08-12 US disclosed
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
US-20080085977-A1 Propylene-based polymer composition, use thereof, and method for producing thermpolastic polymer composition MITSUI CHEMICALS, INC. 2008-04-10 US disclosed
EP-1803742-A1 PROCESS FOR PRODUCING PROPYLENE POLYMER Mitsui Chemicals, Inc. (JP) 2007-07-04 EP disclosed