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Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6923620

CC(C)(C)c1cc(C2=C([Zr+2])c3c(cccc3C3C(c4cc(C(F)(F)F)cc(C(F)(F)F)c4)=Cc4ccccc43)C2Cc2ccccc2)cc(C(C)(C)C)c1.[Cl-].[Cl-]

nearest known ligand 0.30

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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
▸ TACR1 known ✓ P25103 1/20 0.30
▸ CES2 O00748 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 SCHEMBL6928441 0.90 TACR1 (0.31) TACR1CES2
Hydrochloric Acid SCHEMBL6923166 0.81 — —
Hydrochloric Acid SCHEMBL7650580 0.75 — —
SCHEMBL6929363 0.74 RXRA (0.36) CES2
Hydrochloric Acid SCHEMBL6923485 0.71 — —
Hydrochloric Acid SCHEMBL6927831 0.68 CYP19A1 (0.30) —
Hydrochloric Acid SCHEMBL6927237 0.65 TACR1 (0.34) TACR1
Hydrochloric Acid SCHEMBL8084823 0.65 CNR1 (0.35) TACR1
Hydrochloric Acid SCHEMBL6285166 0.64 S1PR1 (0.32) —
Hydrochloric Acid SCHEMBL3946480 0.64 CNR1 (0.34) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6518378-B2 Using an unbridged cyclopentadienyl metallocene catalyst capable of interconverting between states with different copolymerization characteristics THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2003-02-11 — — US disclosed
US-20010049425-A1 High-melting polyolefin copolymer elastomers, catalysts and methods of synthesis BP CORPORATION NORTH AMERICA INC. 2001-12-06 — — US disclosed
US-20010034426-A1 High-melting polyolefin copolymer elastomers, catalysts and methods of synthesis BP CORPORATION NORTH AMERICA INC. 2001-10-25 — — US disclosed