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Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1234987

CCCCC1C=C(C(C)(C)C)C=C1[Zr+2](=C(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)C1c2cc(C(C)(C)C)c(C(C)(C)C)cc2-c2cc(C(C)(C)C)c(C(C)(C)C)cc21.[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 6)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31

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 SCHEMBL1236368 0.95 — —
Hydrochloric Acid SCHEMBL1236779 0.94 — —
Hydrochloric Acid SCHEMBL1235784 0.91 HDAC3 (0.34) ALDH1A1
Hydrochloric Acid SCHEMBL1236780 0.91 CYP1A2 (0.31) CYP1A2CYP3A4TSHRCYP2C19CYP2C9
Hydrochloric Acid SCHEMBL1236147 0.91 — —
Hydrochloric Acid SCHEMBL1236760 0.90 — —
Hydrochloric Acid SCHEMBL1237065 0.90 CYP1A2 (0.31) CYP1A2CYP3A4TSHRCYP2C19CYP2C9
Hydrochloric Acid SCHEMBL1235870 0.90 — —
Hydrochloric Acid SCHEMBL1237077 0.90 — —
Hydrochloric Acid SCHEMBL1234445 0.89 — —

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
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-1860149-A1 PROPYLENE POLYMER COMPOSITION, USE THEREOF, AND PROCESS FOR PRODUCTION OF THERMOPLASTIC POLYMER COMPOSITION Mitsui Chemicals, Inc. (JP) 2007-11-28 — — EP disclosed
EP-1803742-A1 PROCESS FOR PRODUCING PROPYLENE POLYMER Mitsui Chemicals, Inc. (JP) 2007-07-04 — — EP disclosed