Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6902655

CC(C)(C)c1ccc(-c2cccc3c2C=C(c2ccc(-c4ccccc4)s2)C3[Hf+2]C2C(c3ccc(-c4ccccc4)s3)=Cc3c(-c4ccc(C(C)(C)C)cc4)cccc32)cc1.[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 4)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
ALOX5 P09917 1/20 0.30
ACKR3 P25106 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 SCHEMBL6903374 0.89 KIF11 (0.30)
Hydrochloric Acid SCHEMBL6897531 0.87
Hydrochloric Acid SCHEMBL6903960 0.85
Hydrochloric Acid SCHEMBL6903286 0.84 PTAFR (0.31) HSD17B1HSD17B2ALOX5ACKR3
Hydrochloric Acid SCHEMBL6904119 0.84 PTAFR (0.31) HSD17B1HSD17B2ALOX5ACKR3
Hydrochloric Acid SCHEMBL6899226 0.81 NQO2 (0.35)
Hydrochloric Acid SCHEMBL6902702 0.79 TRPV1 (0.39)
Hydrochloric Acid SCHEMBL5606398 0.77 KIF11 (0.33)
Hydrochloric Acid SCHEMBL6901335 0.76 BRD4 (0.31)
Hydrochloric Acid SCHEMBL6904707 0.74 CYP3A4 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1033371-B1 Transition metal compound, catalyst system, process for the preparation thereof and its use for the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2004-01-28 EP claimed
US-6458982-B1 CATALYST SYSTEM COMPRISING AT LEAST ONE METALLOCENE AND AT LEAST ONE COCATALYST. ON SUPPORT. TARGOR GMBH (DE) 2002-10-01 US disclosed